List of recent publications by Prof. Franco Gianturco

2021


F. A. Gianturco, K. Giri, L. Gonzalez-Sanchez, E. Yurtsever, N. Sathyamurthy and R. Wester
Energy-transfer quantum dynamics of HeH+ with He atoms: Rotationally inelastic cross sections and rate coefficients
J. Chem. Phys. 154 (2021) doi:10.1063/5.0040018


B. Mant, E. Yurtsever, L. Gonzalez-Sanchez, R. Wester and F. A. Gianturco
Vibrational quenching of CN- in collisions with He and Ar
J. Chem. Phys. 154 (2021) doi:10.1063/5.0039854


L. Gonzalez-Sanchez, E. Yurtsever, B. P. Mant, R. Wester and F. A. Gianturco
Collision-driven state-changing efficiency of different buffer gases in cold traps: He(S-1), Ar(S-1) and p-H-2((1)sigma) on trapped CN-((1)sigma)
Phys. Chem. Chem. Phys. 23, 7703-7713 (2021) doi:10.1039/d0cp03440a


L. Gonzalez-Sanchez, E. Yurtsever, R. Wester and F. A. Gianturco
Dynamics of HeHHe+ Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry
J. Phys. Chem. A 125, 3748-3759 (2021) doi:10.1021/acs.jpca.1c01820


E. S. Endres, S. Ndengue, O. Lakhmanskaya, S. Lee, F. A. Gianturco, R. Dawes and R. Wester
Temperature-dependent rotationally inelastic collisions of OH- and He
Phys. Rev. A 103 (2021) doi:10.1103/PhysRevA.103.052807


B. Mant, J. Franz, R. Wester and F. A. Gianturco
Beyond the helium buffer: C-12(2)- rotational cooling in cold traps with H-2 as a partner gas: interaction forces and quantum dynamics
Mol. Phys. 119 (2021) doi:10.1080/00268976.2021.1938267

 

M. Simpson, M. Noetzold, T. Michaelsen, R. Wild, F. A. Gianturco and R. Wester
Influence of a Supercritical Electric Dipole Moment on the Photodetachment of C3N-
Phys. Rev. Lett. 127 (2021) doi:10.1103/PhysRevLett.127.043001

 

F. A. Gianturco, K. Giri, L. Gonzalez-Sanchez, E. Yurtsever, N. Sathyamurthy and R. Wester
Efficiency of rovibrational cooling of HeH+ by collisions with He: Cross sections and rate coefficients from quantum dynamics
J. Chem. Phys. 155 (2021) doi:10.1063/5.0062147

2020


A. D. Doerfler, E. Yurtsever, P. Villarreal, T. Gonzalez-Lezana, F. A. Gianturco and S. Willitsch
Rotational-state-changing collisions between N-2(+) and Rb at low energies
Phys. Rev. A 101 (2020) doi:10.1103/PhysRevA.101.012706


B. P. Mant, F. A. Gianturco, L. Gonzalez-Sanchez, E. Yurtsever and R. Wester
Rotationally inelastic processes of C-2(-) ((2)Sigma(+)(g)) colliding with He (S-1) at low temperatures: ab initio interaction potential, state changing rates and kinetic modelling
J. Phys. B 53 (2020) doi:10.1088/1361-6455/ab574f


J. Franz, B. P. Mant, L. Gonzalez-Sanchez, R. Wester and F. A. Gianturco
Rotational state-changing collisions of C2H- and C2N- anions with He under interstellar and cold ion trap conditions: A computational comparison
J. Chem. Phys. 152 (2020) doi:10.1063/5.0011585


E. Yurtsever, M. Satta, R. Wester and F. A. Gianturco
On the Formation of Interstellar CH- Anions: Exploring Mechanism and Rates for CH2 Reacting with H-
J. Phys. Chem. A 124, 5098-5108 (2020) doi:10.1021/acs.jpca.0c02412


B. P. Mant, M. Noetzold, L. Gonzalez-Sanchez, R. Wester and F. A. Gianturco
Photodetachment in cold ion traps Rotational state selective C(2)H(-)losses from quantum dynamics
Eur. Phys. J. D 74 (2020) doi:10.1140/epjd/e2020-10043-6


L. Gonzalez-Sanchez, B. P. Mant, R. Wester and F. A. Gianturco
Rotationally Inelastic Collisions of CN(-)with He: Computing Cross Sections and Rates in the Interstellar Medium
Ap. J. 897 (2020) doi:10.3847/1538-4357/ab94a0

 

S. Jerosimic, M. Milovanovic, D. Koprivica, R. Wester and F. A. Gianturco
Structural properties of possible interstellar valence anions of the series HCnN-(n=3, 5, 7, 9)
Phys. Chem. Chem. Phys. 22, 17263-17274 (2020) doi:10.1039/d0cp02666b

 

B. P. Mant, F. A. Gianturco, R. Wester, L. Gonzalez-Sanchez and E. Yurtsever
Thermalisation of C-2(-) with noble gases in cold ion traps
Int. J. Mass. Spectrom. 457 (2020) doi:10.1016/j.ijms.2020.116426

 

M. Simpson, M. Noetzold, A. Schmidt-May, T. Michaelsen, B. Bastian, J. Meyer, R. Wild, F. A. Gianturco, M. Milovanovic, V. Kokoouline and R. Wester
Threshold photodetachment spectroscopy of the astrochemical anion CN-
J. Chem. Phys. 153 (2020) doi:10.1063/5.0029841

 

B. P. Mant, F. A. Gianturco, R. Wester, E. Yurtsever and L. Gonzalez-Sanchez
Rovibrational quenching of C-2(-) anions in collisions with He, Ne, and Ar atoms
Phys. Rev. A 102 (2020) doi:10.1103/PhysRevA.102.062810

2019


L. Gonzalez-Sanchez, S. Gomez-Carrasco, A. M. Santadaria, R. Wester and F. A. Gianturco
Collisional Quantum Dynamics for MgH- ((1)Sigma(+)) With He as a Buffer Gas: Ionic State-Changing Reactions in Cold Traps
Front. Chem. 7 (2019) doi:10.3389/fchem.2019.00064


F. A. Gianturco, A. D. Dorfler, S. Willitsch, E. Yurtsever, T. Gonzalez-Lezana and P. Villarreal
N-2(+)((2)Sigma(g)) and Rb(S-2) in a hybrid trap: modeling ion losses from radiative association paths
Phys. Chem. Chem. Phys. 21, 8342-8351 (2019) doi:10.1039/c8cp06761a


S. V. Jerosimic, R. Wester and F. A. Gianturco
HCnN anions in the ISM: exploring their existence and new paths to anionic carbonitriles for n=3, 5
Phys. Chem. Chem. Phys. 21, 11405-11415 (2019) doi:10.1039/c9cp00877b


F. A. Gianturco, E. Yurtsever, M. Satta and R. Wester
Modeling Ionic Reactions at Interstellar Temperatures: The Case of NH2- + H-2 double left right arrow NH3 + H-
J. Phys. Chem. A 123, 9905-9918 (2019) doi:10.1021/acs.jpca.9b07317


F. A. Gianturco, L. Gonzalez-Sanchez, B. P. Mant and R. Wester
Modeling state-selective photodetachment in cold ion traps: Rotational state "crowding” in small anions
J. Chem. Phys. 151 (2019) doi:10.1063/1.5123218


S. V. Jerosimic, M. Z. Milovanovic, R. Wester and F. A. Gianturco
Dipole-bound states contribution to the formation of anionic carbonitriles in the ISM: Calculations using multireference methods for C3N-
80, 47-86 (2019) doi:10.1016/bs.aiq.2019.06.006

2018


M. H. Vera, R. Wester and F. A. Gianturco
The H-2(+) + He proton transfer reaction: quantum reactive differential cross sections to be linked with future velocity mapping experiments
J. Phys. B 51 (2018) doi:10.1088/1361-6455/aa97b0


S. V. Jerosimic, F. A. Gianturco and R. Wester
Associative detachment (AD) paths for H and CN- in the gas-phase: astrophysical implications
Phys. Chem. Chem. Phys. 20, 5490-5500 (2018) doi:10.1039/c7cp05573k


A. Kaiser, J. Postler, M. Oncak, M. Kuhn, M. Renzler, S. Spieler, M. Simpson, M. Gatchell, M. K. Beyer, R. Wester, F. A. Gianturco, P. Scheier, F. Calvo and E. Yurtsever
Isomeric Broadening of C-60(+) Electronic Excitation in Helium Droplets: Experiments Meet Theory
JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9, 1237-1242 (2018) doi:10.1021/acs.jpclett.8b00150


M. H. Vera, E. Yurtsever, R. Wester and F. A. Gianturco
NH2- in a cold ion trap with He buffer gas: Ab initio quantum modeling of the interaction potential and of state-changing multichannel dynamics
J. Chem. Phys. 148 (2018) doi:10.1063/1.5022633


L. Gonzalez-Sanchez, R. Wester and F. A. Gianturco
Modeling Quantum Kinetics in Ion Traps: State-changing Collisions for OH+((3)Sigma(-)) Ions with He as a Buffer Gas
CHEMPHYSCHEM 19, 1866-1875 (2018) doi:10.1002/cphc.201800119


L. Gonzalez-Sanchez, R. Wester and F. A. Gianturco
Rotational `cooling ́and `heating ́of OH+((3)Sigma(-)) by collisions with He: quantum dynamics revealing propensity rules under ion trap conditions
Mol. Phys. 116, 2686-2697 (2018) doi:10.1080/00268976.2018.1442597


L. Gonzalez-Sanchez, R. Wester and F. A. Gianturco
Collisional cooling of internal rotation in MgH+ ions trapped with He atoms: Quantum modeling meets experiments in Coulomb crystals
Phys. Rev. A 98 (2018) doi:10.1103/PhysRevA.98.053423


F. A. Gianturco, O. Y. Lakhmanskaya, M. H. Vera, E. Yurtsever and R. Wester
Collisional relaxation kinetics for ortho and para NH2- under photodetachment in cold ion traps
Faraday Disc. 212, 117-135 (2018) doi:10.1039/c8fd00078f

 

Z. Bacic, D. Benoit, M. Besemer, J. Bowman, S. Bradforth, D. Clary, R. Donovan, I. Fischer, F. Gianturco, M. Hochlaf, P. Houston, P. Knowles, S. Leone, R. Linguerri, U. Manthe, A. B. McCoy, J. Petersen, J. Richardson, X. Shan, P. Slavicek, T. Stoecklin, K. Szalewicz, A. van der Avoird, R. Wester, G. Worth and A. Zehnacker-Rentien
Precise characterisation of isolated molecules: general discussion
Faraday Disc. 212, 137-155 (2018) doi:10.1039/C8FD90050G

 

D. Babikov, D. Benoit, J. Bowman, T. Burd, D. Clary, R. Donovan, I. Fischer, F. Gianturco, M. Hochlaf, S. Kar, A. Kirrander, S. Leone, T. Malcomson, U. Manthe, A. B. McCoy, J. Petersen, J. Richardson, P. Slavicek, T. Stoecklin, K. Szalewicz, A. van der Avoird, R. Wester, G. Worth and A. Zehnacker-Rentien
Quantum dynamics of isolated molecules: general discussion
Faraday Disc. 212, 281-306 (2018) doi:10.1039/C8FD90052C

 

Z. Bacic, D. Benoit, M. Biczysko, J. Bowman, S. Bradforth, T. Burd, G. Chambaud, D. Clary, C. Crepin, M. Dracinsky, P. Felker, I. Fischer, F. Gianturco, M. Hochlaf, K. Kouril, I. Kratochvilova, C. Liu, A. McCoy, J. Miyazaki, H. Mouhib, J. Richardson, P. Slavicek, T. Stoecklin, K. Szalewicz, A. van der Avoird and A. Zehnacker-Rentien
Molecules in confinement in clusters, quantum solvents and matrices: general discussion
Faraday Disc. 212, 569-601 (2018) doi:10.1039/C8FD90053A

2017


M. H. Vera, F. A. Gianturco, R. Wester, H. da Silva Jr., O. Dulieu and S. Schiller
Rotationally inelastic collisions of H-2(+) ions with He buffer gas: Computing cross sections and rates
J. Chem. Phys. 146 (2017) doi:10.1063/1.4978475


S. Schiller, I. Kortunov, M. H. Vera, F. Gianturco and H. da Silva Jr.
Quantum state preparation of homonuclear molecular ions enabled via a cold buffer gas: An ab initio study for the H-2(+) and the D-2(+) case
Phys. Rev. A 95 (2017) doi:10.1103/PhysRevA.95.043411


M. H. Vera, S. Schiller, R. Wester and F. A. Gianturco
Rotationally inelastic cross sections, rates and cooling times for para-H-2(+), ortho-D-2(+) and HD+ in cold helium gas
Eur. Phys. J. D 71 (2017) doi:10.1140/epjd/e2017-70740-7


I. Iskandarov, F. A. Gianturco, M. H. Vera, R. Wester, H. da Silva Jr. and O. Dulieu
Shape and strength of dynamical couplings between vibrational levels of the H-2(+), HD+ and D-2(+) molecular ions in collision with He as a buffer gas
Eur. Phys. J. D 71 (2017) doi:10.1140/epjd/e2017-80043-8


L. Gonzalez-Sanchez, S. Gomez-Carrasco, A. M. Santadaria, F. A. Gianturco and R. Wester
Investigating the electronic properties and structural features of MgH and of MgH- anions
Phys. Rev. A 96 (2017) doi:10.1103/PhysRevA.96.042501


F. A. Gianturco, M. Satta, E. Yurtsever and R. Wester
Formation of Anionic C, N-bearing Chains in the Interstellar Medium via Reactions of H- with HCxN for Odd-valued x from 1 to 7
Ap. J. 850 (2017) doi:10.3847/1538-4357/aa92ca


F. Carelli, A. D. Boese, F. A. Gianturco and R. Wester
Cold inelastic collisions of He(S-1) with the smallest astrophysical anion observed, CN-((1)Sigma(+)): an accurate quantum dynamical study.
875 (2017) doi:10.1088/1742-6596/875/11/102018

2016


F. Carelli, J. Franz and F. A. Gianturco
Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
Mol. Phys. 114, 213-226 (2016) doi:10.1080/00268976.2015.1092609


I. Iskandarov, F. A. Gianturco, F. Carelli, E. Yurtsever and R. Wester
Exploring a dynamical path for C2H- and NCO- formation in dark molecular clouds
Eur. Phys. J. D 70 (2016) doi:10.1140/epjd/e2016-60639-2


F. Carelli and F. A. Gianturco
Structure and dynamics of near-threshold leptons driven by dipolar interactions: an accurate computational study for the DNA purinic bases
Eur. Phys. J. D 70 (2016) doi:10.1140/epjd/e2016-70106-9


E. Yurtsever, F. A. Gianturco and R. Wester
Forming NCO- in Dense Molecular Clouds: Possible Gas-Phase Chemical Paths From Quantum Calculations
J. Phys. Chem. A 120, 4693-4701 (2016) doi:10.1021/acs.jpca.5b10472


F. A. Gianturco, M. Satta, M. Mendolicchio, F. Palazzetti, A. Piserchia, V. Barone and R. Wester
EXPLORING A CHEMICAL ROUTE FOR THE FORMATION OF STABLE ANIONS OF POLYYNES [CnH- (n=2, 4)] IN MOLECULAR CLOUDS
Ap. J. 830 (2016) doi:10.3847/0004-637X/830/1/2


F. A. Gianturco, T. Grassi and R. Wester
Modelling the role of electron attachment rates on column density ratios for CnH-/CnH (n=4; 6; 8) in dense molecular clouds
J. Phys. B 49 (2016) doi:10.1088/0953-4075/49/20/204003


L. Gonzalez-Sanchez, F. A. Gianturco and R. Wester
State-changing processes for ions in cold traps: LiH- molecules colliding with He as a buffer gas
J. Phys. B 49 (2016) doi:10.1088/0953-4075/49/23/235201

2015


D. Lopez-Duran, N. Aguirre, G. Delgado-Barrio, P. Villarreal, F. Gianturco and M. de Lara-Castells
Potential Energy Surface and Bound States of the (X-4 Sigma)KRb-K Complex
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115, 19-27 (2015) doi:10.1002/qua.24759


M. Satta, F. A. Gianturco, F. Carelli and R. Wester
A QUANTUM STUDY OF THE CHEMICAL FORMATION OF CYANO ANIONS IN INNER CORES AND DIFFUSE REGIONS OF INTERSTELLAR MOLECULAR CLOUDS
Ap. J. 799 (2015) doi:10.1088/0004-637X/799/2/228


M. Rodriguez-Cantano, T. Gonzalez-Lezana, P. Villarreal and F. A. Gianturco
A configurational study of helium clusters doped with He*(-) and He2(*-)
J. Chem. Phys. 142 (2015) doi:10.1063/1.4913958


F. Carelli, F. A. Gianturco, J. Franz and M. Satta
A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
Eur. Phys. J. D 69 (2015) doi:10.1140/epjd/e2015-60096-5


D. Hauser, S. Lee, F. Carelli, S. Spieler, O. Lakhmanskaya, E. S. Endres, S. S. Kumar, F. Gianturco and R. Wester
Rotational state-changing cold collisions of hydroxyl ions with helium
NATURE PHYSICS 11, 467-470 (2015) doi:10.1038/NPHYS3326


D. Hauser, S. Lee, F. Carelli, S. Spieler, O. Lakhmanskaya, E. S. Endres, S. S. Kumar, F. Gianturco and R. Wester
Rotational state-changing cold collisions of hydroxyl ions with helium (vol 11, pg 467, 2015)
NATURE PHYSICS 11, 978 (2015) doi:10.1038/NPHYS3524


L. Gonzalez-Sanchez, F. Carelli, F. A. Gianturco and R. Wester
Collisional state-changing of OH- rotations by interaction with Rb atoms in cold traps
Chem. Phys. 462, 111-118 (2015) doi:10.1016/j.chemphys.2015.05.027


E. Carrascosa, M. Bawart, M. Stei, F. Linden, F. Carelli, J. Meyer, W. D. Geppert, F. A. Gianturco and R. Wester
Nucleophilic substitution with two reactive centers: The CN- + CH3I case
J. Chem. Phys. 143 (2015) doi:10.1063/1.4934993


L. Gonzalez-Sanchez, F. A. Gianturco, F. Carelli and R. Wester
Computing rotational energy transfers of OD-/OH- in collisions with Rb: isotopic effects and inelastic rates at cold ion-trap conditions
NEW JOURNAL OF PHYSICS 17 (2015) doi:10.1088/1367-2630/17/12/123003


P. Villarreal, R. Rodriguez-Cantano, T. Gonzalez-Lezana, R. Prosmiti, G. Delgado-Barrio and F. A. Gianturco
Quantum Features of Anionic Species He*(-) and He-2*(-) in Small He-N Clusters
J. Phys. Chem. A 119, 11574-11582 (2015) doi:10.1021/acs.jpca.5b08470

 

P. Villarreal, R. Rodriguez-Cantano, T. Gonzalez-Lezana, R. Prosmiti, G. Delgado-Barrio and F. A. Gianturco
Variational and Path Integral Monte Carlo calculations on Helium Clusters Doped with Metastable Anions He*(-) and He-2*(-)
635 (2015) doi:10.1088/1742-6596/635/7/072009

 

S. Bovino, T. Grassi and F. A. Gianturco
CH+ Destruction by Reaction with H: Computing Quantum Rates To Model Different Molecular Regions in the Interstellar Medium
J. Phys. Chem. A 119, 11973-11982 (2015) doi:10.1021/acs.jpca.5b02785

2014


A. G. Sanz, M. C. Fuss, F. Blanco, Z. Masin, J. D. Gorfinkiel, F. Carelli, F. Sebastianelli, F. A. Gianturco and G. Garcia
Electron scattering cross section calculations for polar molecules over a broad energy range
APPLIED RADIATION AND ISOTOPES 83, 57-67 (2014) doi:10.1016/j.apradiso.2013.01.031


A. G. Sanz, M. C. Fuss, F. Blanco, F. Carelli, F. Sebastianelli, F. A. Gianturco and G. Garcia
Electron scattering cross sections from anthracene over a broad energy range (0.00001-10,000 eV)
APPLIED RADIATION AND ISOTOPES 83, 68-76 (2014) doi:10.1016/j.apradiso.2012.12.015


F. Carelli, M. Satta, F. Sebastianelli and F. A. Gianturco
Comment on `Dynamics of formation of anthracene anions in molecular clouds and protoplanetary atmospheres ́Reply
NEW JOURNAL OF PHYSICS 16 (2014) doi:10.1088/1367-2630/16/2/028002


T. Grassi, S. Bovino, D. R. G. Schleicher, J. Prieto, D. Seifried, E. Simoncini and F. A. Gianturco
KROME - a package to embed chemistry in astrophysical simulations
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 439, 2386-2419 (2014) doi:10.1093/mnras/stu114


F. Carelli, F. A. Gianturco, M. Satta and F. Sebastianelli
Attaching electrons to a 3-ring acene: Structures and dynamics of anions in gas-phase anthracene
Int. J. Mass. Spectrom. 365, 377-383 (2014) doi:10.1016/j.ijms.2014.03.014


J. Franz, F. A. Gianturco and I. Baccarelli
Low-energy positron scattering from gas-phase uracil
Eur. Phys. J. D 68 (2014) doi:10.1140/epjd/e2014-40796-0


F. Carelli, F. A. Gianturco, R. Wester and M. Satta
Formation of cyanopolyyne anions in the interstellar medium: The possible role of permanent dipoles
J. Chem. Phys. 141 (2014) doi:10.1063/1.4891300


F. A. Gianturco
Learning New Things Often and All along the Way: A Personal Account of 50 Years in Science
J. Phys. Chem. A 118, 6301-6303 (2014) doi:10.1021/jp504455q


R. Rodriguez-Cantano, T. Gonzalez-Lezana, P. Villarreal, D. Lopez-Duran, F. A. Gianturco and G. Delgado-Barrio
Path Integral Monte Carlo Calculations of Calcium-Doped He-4 Clusters
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 114, 1318-1326 (2014) doi:10.1002/qua.24622


J. Franz and F. A. Gianturco
Low-energy positron scattering from DNA nucleobases: the effects from permanent dipoles
Eur. Phys. J. D 68 (2014) doi:10.1140/epjd/e2014-50072-0

 2013


A. Garcia-Sanz, F. Carelli, F. Sebastianelli, F. A. Gianturco and G. Garcia
Dynamics of formation of anthracene anions in molecular clouds and protoplanetary atmospheres
NEW JOURNAL OF PHYSICS 15 (2013) doi:10.1088/1367-2630/15/1/013018


R. Curik and F. A. Gianturco
Indirect dissociative recombination of LiHe+ ions driven by vibrational Feshbach resonances
Phys. Rev. A 87 (2013) doi:10.1103/PhysRevA.87.012705


F. Carelli, T. Grassi and F. A. Gianturco
Electron attachment rates for PAH anions in the ISM and dark molecular clouds: dependence on their chemical properties
ASTRONOMY & ASTROPHYSICS 549 (2013) doi:10.1051/0004-6361/201219990


F. Carelli, T. Grassi, F. Sebastianelli and F. A. Gianturco
Electron-attachment rates for carbon-rich molecules in protoplanetary atmospheres: the role of chemical differences
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 428, 1181-1184 (2013) doi:10.1093/mnras/sts100


M. Satta, T. Grassi and F. A. Gianturco
Carbon cations and silicon atoms in the ISM: modelling their charge exchange reaction
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 429, 269-274 (2013) doi:10.1093/mnras/sts334


M. Satta, T. Grassi and F. A. Gianturco
Carbon cations and silicon atoms in the ISM: modelling their charge-exchange reaction (vol 429, pg 269, 2013)
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 431, 1004 (2013) doi:10.1093/mnras/stt204


T. Grassi, S. Bovino, D. Schleicher and F. A. Gianturco
Chemical complexity in astrophysical simulations: optimization and reduction techniques
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 431, 1659-1668 (2013) doi:10.1093/mnras/stt284


R. Carey, R. R. Lucchese and F. A. Gianturco
Electron scattering from gas phase cis-diamminedichloroplatinum(II): Quantum analysis of resonance dynamics
J. Chem. Phys. 138 (2013) doi:10.1063/1.4807083


I. Baccarelli, F. Sebastianelli, B. M. Nestmann and F. A. Gianturco
Forming metastable carbon-rich anions in planetary atmospheres: the case of diacetylene
Eur. Phys. J. D 67 (2013) doi:10.1140/epjd/e2013-30741-2


R. Rodriguez-Cantano, R. Perez de Tudela, D. Lopez-Duran, T. Gonzalez-Lezana, F. A. Gianturco, G. Delgado-Barrio and P. Villarreal
Quantum rotation of Rb-2((3)Sigma(+)(u)) attached to He-N droplets: a path-integral Monte Carlo study
Eur. Phys. J. D 67 (2013) doi:10.1140/epjd/e2013-40139-9

 

F. Carelli, M. Satta, T. Grassi and F. A. Gianturco
CARBON-RICH MOLECULAR CHAINS IN PROTOPLANETARY AND PLANETARY ATMOSPHERES: QUANTUM MECHANISMS AND ELECTRON ATTACHMENT RATES FOR ANION FORMATION
Ap. J. 774 (2013) doi:10.1088/0004-637X/774/2/97

 

M. Satta, M. Marquez-Mijares, E. Yurtsever, S. Bovino and F. A. Gianturco
Mg+(S-2) and Mg+(P-2) in reaction with H-2((1)Sigma(+)(g)): A description of the energy surfaces explaining the mechanisms
Int. J. Mass. Spectrom. 351, 47-55 (2013) doi:10.1016/j.ijms.2013.03.019

 

J. Franz and F. A. Gianturco
Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
Phys. Rev. A 88 (2013) doi:10.1103/PhysRevA.88.042711

 

F. Carelli, M. Satta and F. A. Gianturco
Resonant electron attachment to polar aromatic molecules: consequences for their chemistry in the interstellar medium
Eur. Phys. J. D 67 (2013) doi:10.1140/epjd/e2013-40422-9

 

M. Satta, T. Grassi, F. A. Gianturco, S. A. Yakovleva and A. K. Belyaev
Reducing Si population in the ISM by charge exchange collisions with He+: a quantum modelling of the process
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 436, 2722-2733 (2013) doi:10.1093/mnras/stt1771

 

J. Franz and F. A. Gianturco
Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
J. Chem. Phys. 139 (2013) doi:10.1063/1.4832417

 

F. Carelli and F. A. Gianturco
Electron angular distributions and attachment rates in o-Benzyne and Phenyl aromatic molecules: the effect of the permanent dipoles
Eur. Phys. J. D 67 (2013) doi:10.1140/epjd/e2013-40434-5

 2012


M. Tacconi, S. Bovino and F. A. Gianturco
Direct and inverse reactions of LiH+ with He(S-1) from quantum calculations: mechanisms and rates
Phys. Chem. Chem. Phys. 14, 637-645 (2012) doi:10.1039/c1cp22315a


F. Sebastianelli and F. A. Gianturco
Metastable anions of polyynes: Dynamics of fragmentation/stabilization in planetary atmospheres after electron attachment
Eur. Phys. J. D 66 (2012) doi:10.1140/epjd/e2011-20619-8


D. Lopez-Duran, R. Rodriguez-Cantano, T. Gonzalez-Lezana, G. Delgado-Barrio, P. Villarreal, E. Yurtsever and F. A. Gianturco
Weakly bound finite systems: (He-4)(N)-Rb-2((3)Sigma(u)), clustering structures from a quantum Monte Carlo approach
JOURNAL OF PHYSICS-CONDENSED MATTER 24 (2012) doi:10.1088/0953-8984/24/10/104014


R. Rodriguez-Cantano, D. Lopez-Duran, T. Gonzalez-Lezana, G. Delgado-Barrio, P. Villarreal, E. Yurtsever and F. A. Gianturco
Spin-Polarized Rb-2 Interacting with Bosonic He Atoms: Potential Energy Surface and Quantum Structures of Small Clusters
J. Phys. Chem. A 116, 2394-2404 (2012) doi:10.1021/jp3004932


S. Bovino, M. Tacconi and F. A. Gianturco
PHOTON-INDUCED EVOLUTIONARY RATES OF LiHe+ ((1)Sigma(+)) IN EARLY UNIVERSE FROM ACCURATE QUANTUM COMPUTATIONS (vol 740, pg 101,2011)
Ap. J. 748 (2012) doi:10.1088/0004-637X/748/2/150


D. Caruso, M. Tacconi, F. A. Gianturco and E. Yurtsever
Quenching vibrations by collisions in cold traps: A quantum study for MgH+ (X-1 Sigma(+)) with He-4(S-1)
JOURNAL OF CHEMICAL SCIENCES 124, 93-97 (2012) doi:10.1007/s12039-011-0190-4


A. K. Belyaev, S. A. Yakovleva, M. Tacconi and F. A. Gianturco
Resonances in Ca+ + Rb nonadiabatic collisions at ultralow energies
Phys. Rev. A 85 (2012) doi:10.1103/PhysRevA.85.042716


F.Sebastianelli, F. Carelli and F. A. Gianturco
Forming (NCCN)(-) by quantum scattering: A modeling for Titanś atmosphere
Chem. Phys. 398, 199-205 (2012) doi:10.1016/j.chemphys.2011.08.004


F. Marinetti and F. A. Gianturco
LiH-((2)Sigma(+)) attached to small clusters of He-4: A stochastic analysis
Chem. Phys. 399, 205-212 (2012) doi:10.1016/j.chemphys.2011.07.003


F. Carelli and F. A. Gianturco
Polycyclic aromatic hydrocarbon negative ions in interstellar clouds: a quantum study on coronene metastable anions
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 422, 3643-3648 (2012) doi:10.1111/j.1365-2966.2012.20876.x

 

F. Carelli and F. A. Gianturco
Resonant dynamics of gas-phase electron-driven reactions: The coronene molecule as a prototype in planetary atmospheres and interstellar clouds
COMPUTATIONAL AND THEORETICAL CHEMISTRY 990, 67-74 (2012) doi:10.1016/j.comptc.2011.12.001

 

R. Rodriguez-Cantano, D. Lopez-Duran, R. Perez de Tudela, T. Gonzalez-Lezana, G. Delgado-Barrio, P. Villarreal and F. A. Gianturco
Helium aggregates doped with alkali dimer impurities: A finite temperature study of He-4(N)-Rb-2((3)Sigma(+)(u)) complexes
COMPUTATIONAL AND THEORETICAL CHEMISTRY 990, 106-111 (2012) doi:10.1016/j.comptc.2012.03.018

 

S. Bovino, R. Curik, D. Galli, M. Tacconi and F. A. Gianturco
LiHe+ IN THE EARLY UNIVERSE: A FULL ASSESSMENT OF ITS REACTION NETWORK AND FINAL ABUNDANCES
Ap. J. 752 (2012) doi:10.1088/0004-637X/752/1/19

 

D. David Lopez-Duran, T. Gonzalez-Lezana, G. Delgado-Barrio, P. Villarreal and F. A. Gianturco
Comment on ``Weakly bound states of the He-He-Ca triatomic system”
Phys. Rev. A 86 (2012) doi:10.1103/PhysRevA.86.016501

 

D. Lopez-Duran, R. Rodriguez-Cantano, T. Gonzalez-Lezana, G. Delgado-Barrio, P. Villarreal and F. A. Gianturco
Binding energies and structures of Ca-He-2 weakly bound triatomic complexes
Phys. Rev. A 86 (2012) doi:10.1103/PhysRevA.86.022501

 

D. Lopez-Duran, R. Rodriguez-Cantano, T. Gonzalez-Lezana, G. Delgado-Barrio, P. Villarreal and F. A. Gianturco
Binding weakly interacting partners: a study of Ca-He-2 and its isotopomers
Eur. Phys. J. D 66 (2012) doi:10.1140/epjd/e2012-30202-6

 

T. Grassi, S. Bovino, F. A. Gianturco, P. Baiocchi and E. Merlin
Complexity reduction of astrochemical networks
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 425, 1332-1340 (2012) doi:10.1111/j.1365-2966.2012.21537.x

 

A. G. Sanz, M. C. Fuss, F. Blanco, F. Sebastianelli, F. A. Gianturco and G. Garcia
Electron scattering cross sections from HCN over a broad energy range (0.1-10 000 eV): Influence of the permanent dipole moment on the scattering process
J. Chem. Phys. 137 (2012) doi:10.1063/1.4754661

 

S. Bovino, F. A. Gianturco and M. Tacconi
Chemical destruction of rotationally ``hot” HeH+: Quantum cross sections and mechanisms of its reaction with H
Chem. Phys. Lett. 554, 47-52 (2012) doi:10.1016/j.cplett.2012.10.027

 

R. Perez de Tudela, D. Lopez-Duran, M. P. de Lara-Castells, R. Prosmiti, O. Roncero, G. Delgado-Barrio, F. A. Gianturco, J. Jellinek and P. Villarreal
A Quantum Chemistry Approach to Energies, Structures, and Spectroscopy of Doped Helium Clusters
1504, 240-253 (2012) doi:10.1063/1.4771719

 2011


F. Marinetti and F. A. Gianturco
Water as a solute: competitive shell formation in (He,Ne) mixed microdroplets
Phys. Chem. Chem. Phys. 13, 2136-2144 (2011) doi:10.1039/c0cp01342k


S. Bovino, P. Zhang, F. A. Gianturco, A. Dalgarno and V. Kharchenko
Energy transfer in O collisions with He isotopes and Helium escape from Mars
GEOPHYSICAL RESEARCH LETTERS 38 (2011) doi:10.1029/2010GL045763


S. Bovino, M. Tacconi, F. A. Gianturco, D. Galli and F. Palla
ON THE RELATIVE ABUNDANCE OF LiH AND LiH+ MOLECULES IN THE EARLY UNIVERSE: NEW RESULTS FROM QUANTUM REACTIONS
Ap. J. 731 (2011) doi:10.1088/0004-637X/731/2/107


M. Tacconi, S. Bovino and F. A. Gianturco
Testing the lithium chemistry for early universe models with a quantum reactive method
RENDICONTI LINCEI-SCIENZE FISICHE E NATURALI 22, 69-80 (2011) doi:10.1007/s12210-011-0114-8


R. Perez de Tudela, D. Lopez-Duran, T. Gonzalez-Lezana, G. Delgado-Barrio, P. Villarreal, F. A. Gianturco and E. Yurtsever
Quantum Features of a Barely Bound Molecular Dopant: Cs-2((3)Sigma(u)) in Bosonic Helium Droplets of Variable Size
J. Phys. Chem. A 115, 6892-6902 (2011) doi:10.1021/jp111825n


M. Tacconi, F. A. Gianturco, E. Yurtsever and D. Caruso
Cooling and quenching of (MgH+)-Mg-24(X-1 Sigma(+)) by He-4(S-1) in a Coulomb trap: A quantum study of the dynamics
Phys. Rev. A 84 (2011) doi:10.1103/PhysRevA.84.013412


S. Bovino, M. Tacconi and F. A. Gianturco
Cold Chemistry with Ionic Partners: Quantum Features of HeH+((1)Sigma) with H(S-1) at Ultralow Energies
J. Phys. Chem. A 115, 8197-8203 (2011) doi:10.1021/jp203113e


F. Carelli, F. Sebastianelli, M. Satta and F. A. Gianturco
Gas-phase route to polycyclic aromatic hydrocarbon formation in protoplanetary atmospheres: role of stabilized benzyne anions
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 415, 425-430 (2011) doi:10.1111/j.1365-2966.2011.18711.x


S. Bovino, M. Tacconi, F. A. Gianturco and D. Galli
Ion chemistry in the early universe Revisiting the role of HeH+ with new quantum calculations
ASTRONOMY & ASTROPHYSICS 529 (2011) doi:10.1051/0004-6361/201116740


S. Bovino, M. Tacconi and F. A. Gianturco
LiH destruction by protons: a comparison of quantum models for an important astrochemical process
PHYSICA SCRIPTA 84 (2011) doi:10.1088/0031-8949/84/02/028103

 

M. Tacconi, F. A. Gianturco and A. K. Belyaev
Computing charge-exchange cross sections for Ca+ collisions with Rb at low and ultralow energies
Phys. Chem. Chem. Phys. 13, 19156-19164 (2011) doi:10.1039/c1cp20916g

 

F. Sebastianelli, F. Carelli and F. A. Gianturco
Modeling Chemical Evolution in a Cold Molecular Plasma: Quantum Dynamics of CF2- Intermediates after Electron Attachment
J. Phys. Chem. A 115, 11531-11543 (2011) doi:10.1021/jp206618x

 

S. Bovino, M. Tacconi and F. A. Gianturco
PHOTON-INDUCED EVOLUTIONARY RATES OF LiHe+ ((1)Sigma(+)) IN EARLY UNIVERSE FROM ACCURATE QUANTUM COMPUTATIONS
Ap. J. 740 (2011) doi:10.1088/0004-637X/740/2/101

 

D. Caruso, M. Tacconi, E. Yurtsever, S. Bovino and F. A. Gianturco
Quenching vibrations of cesium dimers by He at low and ultralow temperatures: quantum dynamical calculations
Eur. Phys. J. D 65, 167-175 (2011) doi:10.1140/epjd/e2011-20029-0

 

I. Baccarelli, I. Bald, F. A. Gianturco, E. Illenberger and J. Kopyra
Electron-induced damage of DNA and its components: Experiments and theoretical models
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS 508, 1-44 (2011) doi:10.1016/j.physrep.2011.06.004

 

F. Carelli and F. A. Gianturco
ON THE RELATIVE "TRANSPARENCY” OF GAS-PHASE CORONENE MOLECULES TO LOW-ENERGY ELECTRONS: EFFECTS ON THE INTERSTELLAR MEDIUM
Ap. J. 743 (2011) doi:10.1088/0004-637X/743/2/151

 2010


S. Bovino, T. Stoecklin and F. A. Gianturco
THE IONIC PATHWAYS OF LITHIUM CHEMISTRY IN THE EARLY UNIVERSE: QUANTUM CALCULATIONS FOR LiH+ REACTING WITH H
Ap. J. 708, 1560-1565 (2010) doi:10.1088/0004-637X/708/2/1560


S. Orlandini, E. Coccia, I. Baccarelli, F. A. Gianturco, E. Garrido, T. Gonzalez-Lezana, G. Delgado-Barrio and P. Villarreal
Binding He atoms to hydrogen moieties: quantum features from ultraweak interactions
Mol. Phys. 108, 57-72 (2010) doi:10.1080/00268970903496660


E. Coccia and F. A. Gianturco
Attachment Energetics of Quantum Dopants in a Weakly Interacting Quantum Solvent: H-1, H-2 and H-3 in Small He-4 Clusters
J. Phys. Chem. A 114, 3221-3228 (2010) doi:10.1021/jp909403t


F. Carelli, F. Sebastianelli, I. Baccarelli and F. A. Gianturco
ELECTRON-DRIVEN REACTIONS IN PROTO-PLANETARY ATMOSPHERES: METASTABLE ANIONS OF GASEOUS o-BENZYNE
Ap. J. 712, 445-452 (2010) doi:10.1088/0004-637X/712/1/445


S. Bovino, T. Stoecklin and F. A. Gianturco
THE IONIC PATHWAYS OF LITHIUM CHEMISTRY IN THE EARLY UNIVERSE: QUANTUM CALCULATIONS FOR LiH+ REACTING WITH H (vol 708, pg 1560, 2010)
Ap. J. 713, 711 (2010) doi:10.1088/0004-637X/713/1/711


D. Caruso, M. Tacconi, E. Yurtsever and F. A. Gianturco
Quenching of internal rotations versus collisional cooling at ultralow energies for weakly interacting partners: Cs-2((3)Sigma(+)(u)) with He-3,He-4
Phys. Rev. A 81 (2010) doi:10.1103/PhysRevA.81.042710


F. Sebastianelli and F. A. Gianturco
Stabilizing dicyanoacetylene anions in planetary atmospheres: quantum dynamics of its transient negative ions
Eur. Phys. J. D 59, 389-398 (2010) doi:10.1140/epjd/e2010-00170-0


F. Marinetti, E. Yurtsever and F. A. Gianturco
HCHO in a Cold, Quantum Solvent: Size and Shape of Its "Bubbles” in He-4 Droplets from Stochastic Simulations
J. Phys. Chem. A 114, 9725-9732 (2010) doi:10.1021/jp1018857


I. Baccarelli, F. A. Gianturco, E. Scifoni, A. V. Solovýov and E. Surdutovich
Molecular level assessments of radiation biodamage
Eur. Phys. J. D 60, 1-10 (2010) doi:10.1140/epjd/e2010-00216-3


C. Panosetti, I. Baccarelli, F. Sebastianelli and F. A. Gianturco
Modelling fragmentations of aminoacids after resonant electron attachment: quantum evidence of possible direct -OH detachment
Eur. Phys. J. D 60, 21-30 (2010) doi:10.1140/epjd/e2010-00168-6

 

S. Bovino, M. Tacconi, F. A. Gianturco and T. Stoecklin
IS H+ AN EFFICIENT DESTROYER OF LiH MOLECULES? A QUANTUM INVESTIGATION AT EARLY UNIVERSE CONDITIONS
Ap. J. 724, 126-130 (2010) doi:10.1088/0004-637X/724/1/126

 2009


T. P. M. Goumans, F. A. Gianturco, F. Sebastianelli, I. Baccarelli and J. L. Rivail
Dissociative Electron Attachment to Formamide: Direct and Indirect Pathways from Resonant Intermediates
JOURNAL OF CHEMICAL THEORY AND COMPUTATION 5, 217-221 (2009) doi:10.1021/ct800379h


I. Baccarelli, F. Sebastianelli, F. A. Gianturco and N. Sanna
Modelling dissociative dynamics of biosystems after metastable electron attachment: the sugar backbones
Eur. Phys. J. D 51, 131-136 (2009) doi:10.1140/epjd/e2008-00104-5


M. Wernli, D. Caruso, E. Bodo and F. A. Gianturco
Computing a Three-Dimensional Electronic Energy Manifold for the LiH plus H (sic) Li + H-2 Chemical Reaction
J. Phys. Chem. A 113, 1121-1128 (2009) doi:10.1021/jp809163g


M. Wernli, E. Scifoni, E. Bodo and F. A. Gianturco
A quantum modeling of the chemistry of LiH+ with He from ab initio calculations: Ionic reactions in He nanodroplets
Int. J. Mass. Spectrom. 280, 57-64 (2009) doi:10.1016/j.ijms.2008.07.019


E. Coccia, E. Bodo and F. A. Gianturco
Size-dependent solvation of p-H-2 in He-4 clusters: A quantum Monte Carlo analysis
J. Chem. Phys. 130 (2009) doi:10.1063/1.3078705


S. Orlandini, I. Baccarelli and F. A. Gianturco
Variational calculations of structures and energetics in very floppy trimers: A new computational implementation
COMPUTER PHYSICS COMMUNICATIONS 180, 384-391 (2009) doi:10.1016/j.cpc.2008.10.014


M. Marquez-Mijares, R. Perez de Tudela, T. Gonzalez-Lezana, O. Roncero, S. Miret-Artes, G. Delgado-Barrio, P. Villarreal, I. Baccarelli, F. A. Gianturco and J. Rubayo-Soneira
A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations
J. Chem. Phys. 130 (2009) doi:10.1063/1.3115100


A. Ponzi, F. Marinetti and F. A. Gianturco
Structuring molecular hydrogen around ionic dopants: Li+ cations in small pH(2) clusters
Phys. Chem. Chem. Phys. 11, 3868-3874 (2009) doi:10.1039/b820190k


S. Bovino, M. Wernli and F. A. Gianturco
FAST LiH DESTRUCTION IN REACTION WITH H: QUANTUM CALCULATIONS AND ASTROPHYSICAL CONSEQUENCES
Ap. J. 699, 383-387 (2009) doi:10.1088/0004-637X/699/1/383


F. Sebastianelli, F. A. Gianturco, T. Stoecklin and I. Baccarelli
Scattering of electrons by gaseous CS((1)Sigma): The role of short-range forces on the very-low energy (2)Pi resonance
Chem. Phys. Lett. 476, 182-185 (2009) doi:10.1016/j.cplett.2009.06.044

 

M. Tacconi and F. A. Gianturco
Exchanging the ionic partner in a linear Paul trap: the MgH+((XI)-I-1 (+)) pound ion with neutral Rb(S-2)
Eur. Phys. J. D 54, 31-41 (2009) doi:10.1140/epjd/e2009-00162-1

 

J. Franz, I. Baccarelli, S. Caprasecca and F. A. Gianturco
Computed vibrational excitation of CF4 by low-energy electrons and positrons: Comparing calculations and experiments
Phys. Rev. A 80 (2009) doi:10.1103/PhysRevA.80.012709

 

F. A. Gianturco and M. Tacconi
Concluding remarks: achievements and challenges in cold and ultracold molecules
Faraday Disc. 142, 463-477 (2009) doi:10.1039/b910178k

 

M. Tacconi and F. A. Gianturco
Translational cooling versus vibrational quenching in ultracold OH--Rb collisions: A quantum assessment
J. Chem. Phys. 131 (2009) doi:10.1063/1.3192101

 

D. Lopez-Duran, M. Tacconi and F. A. Gianturco
LiH-((XI)-I-2 (+))+He-3 pound,He-4 rotational quenching at ultralow energies: spin-flip and isotopic effects from quantum dynamics on an ionic system
Eur. Phys. J. D 55, 601-611 (2009) doi:10.1140/epjd/e2009-00281-7

 

F. A. Gianturco, F. Sebastianelli, R. R. Lucchese, I. Baccarelli and N. Sanna
Ring-breaking electron attachment to uracil: Following bond dissociations via evolving resonances (vol 128, 174302, 2008)
J. Chem. Phys. 131 (2009) doi:10.1063/1.3274177

 

R. Prosmiti, G. Delgado-Barrio, P. Villarreal, E. Yurtsever, E. Coccia and F. A. Gianturco
Structuring a Quantum Solvent around a Weakly Bound Dopant: The He-CS2((3)Sigma u) Complex
J. Phys. Chem. A 113, 14718-14729 (2009) doi:10.1021/jp9048583

 2008


M. Tacconi and F. A. Gianturco
Molecular ions in ultracold atomic gases: computed electronic interactions for MgH+(X-1 Sigma(+)) with Rb
Eur. Phys. J. D 46, 443-451 (2008) doi:10.1140/epjd/e2007-00315-2


E. Coccia, F. Marinetti, E. Bodo and F. A. Gianturco
Anionic microsolvation in helium droplets: OH-(He)(N) structures from classical and quantum calculations
J. Chem. Phys. 128 (2008) doi:10.1063/1.2842082


E. Coccia, E. Bodo and F. A. Gianturco
Nanoscopic phase changes in doped He-4 droplets
EPL 82 (2008) doi:10.1209/0295-5075/82/23001


S. Bovino, E. Bodo and F. A. Gianturco
Ultralow-energy vibrational quenching in ionic collisions: Isotope effects in Li++D-2 encounters
Phys. Rev. A 77 (2008) doi:10.1103/PhysRevA.77.042716


J. Franz, F. A. Gianturco, K. L. Baluja, J. Tennyson, R. Carey, R. Montuoro, R. R. Lucchese, T. Stoecklin, P. Nicholas and T. L. Gibson
Correlation-polarization effects in electron/positron scattering from acetylene: A comparison of computational models
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 266, 425-434 (2008) doi:10.1016/j.nimb.2007.12.019


S. Orlandini, I. Baccarelli and F. A. Gianturco
Searching for many-body effects and Efimov states in very weakly bound triatomics: HeNeH- and HeNeH
Mol. Phys. 106, 573-586 (2008) doi:10.1080/00268970801939001


F. A. Gianturco, F. Sebastianelli, R. R. Lucchese, I. Baccarelli and N. Sanna
Ring-breaking electron attachment to uracil: Following bond dissociations via evolving resonances
J. Chem. Phys. 128 (2008) doi:10.1063/1.2913169


L. Gonzalez-Sanchez, E. Bodo, E. Yurtsever and F. A. Gianturco
Quenching efficiency of "hot” polar molecules by He buffer gas at ultralow energies: quantum results for MgH and LiH rotations
Eur. Phys. J. D 48, 75-82 (2008) doi:10.1140/epjd/e2008-00072-8


S. Bovino, E. Bodo, E. Yurtsever and F. A. Gianturco
Vibrational cooling of spin-stretched dimer states by He buffer gas: Quantum calculations for Li-2(a (3)Sigma(+)(u)) at ultralow energies
J. Chem. Phys. 128 (2008) doi:10.1063/1.2933405


E. Coccia, F. Marinetti, E. Bodo and F. A. Gianturco
Chemical solutions in a quantum solvent: Anionic electrolytes in He-4 nanodroplets
CHEMPHYSCHEM 9, 1323-1330 (2008) doi:10.1002/cphc.200800132

 

I. Baccarelli, F. A. Gianturco, A. Grandi and N. Sanna
Metastable anion fragmentations after resonant attachment: Deoxyribosic structures from quantum electron dynamics
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108, 1878-1887 (2008) doi:10.1002/qua.21681

 

R. Carey, R. R. Lucchese and F. A. Gianturco
Positron scattering from C-20
Phys. Rev. A 78 (2008) doi:10.1103/PhysRevA.78.012706

 

L. Gonzalez-Sanchez, M. Tacconi, E. Bodo and F. A. Gianturco
Ionic interactions and collision dynamics in cold traps: rotational quenching of OH-((1)Sigma(+)) by Rb(S-2)
Eur. Phys. J. D 49, 85-92 (2008) doi:10.1140/epjd/e2008-00148-5

 

F. A. Gianturco
Quenching of internally "hot"H(2) and N(2) gases by collisions with ultracold electrons: a computational "experiment’"
PHYSICA SCRIPTA 78 (2008) doi:10.1088/0031-8949/78/05/058102

 

F. Carelli, F. Sebastianelli, I. Baccarelli and F. A. Gianturco
Following electron attachment to CS ((1)Sigma): Quantum scattering calculations of the lowest resonant state
Int. J. Mass. Spectrom. 277, 155-161 (2008) doi:10.1016/j.ijms.2008.07.015

 

D. Lopez-Duran, E. Bodo and F. A. Gianturco
ASPIN: An all spin scattering code for atom-molecule rovibrationally inelastic cross sections
COMPUTER PHYSICS COMMUNICATIONS 179, 821-838 (2008) doi:10.1016/j.cpc.2008.07.017

 

F. Marinetti, E. Bodo, F. A. Gianturco and E. Yurtsever
Energetics and Structures of Charged Helium Clusters: Comparing Stabilities of Dimer and Trimer Cationic Cores
CHEMPHYSCHEM 9, 2618-2624 (2008) doi:10.1002/cphc.200800457

 2007


I. Baccarelli, F. A. Gianturco, A. Grandi, R. R. Lucchese and N. Sanna
Electron-driven molecular processes induced in biological systems by electromagnetic and other ionizing sources
52, 189+ (2007) doi:10.1016/S0065-3276(06)52009-X


F. Marinetti, E. Bodo and F. A. Gianturco
Microsolvation of an ionic dopant in small He-4 clusters: OH+((3)Sigma)(He-4)(N) via genetic algorithm optimizations
CHEMPHYSCHEM 8, 93-100 (2007) doi:10.1002/cphc.200600440


M. Tacconi, E. Bodo and F. A. Gianturco
Sympathetic cooling of NH(X-3 Sigma(-)) molecules by Rb and Cs atoms at ultralow energies
Phys. Rev. A 75 (2007) doi:10.1103/PhysRevA.75.012708


F. A. Gianturco and T. Stoecklin
Electron scattering from gaseous OCS ((1)Sigma): Comparing computed angular distributions and elastic cross-sections with experiments
Chem. Phys. 332, 145-151 (2007) doi:10.1016/j.chemphys.2006.09.020


E. Coccia, E. Bodo, F. Marinetti, F. A. Gianturco, E. Yildrim, M. Yurtsever and E. Yurtsever
Bosonic helium droplets with cationic impurities: Onset of electrostriction and snowball effects from quantum calculations
J. Chem. Phys. 126 (2007) doi:10.1063/1.2712437


E. Bodo and F. A. Gianturco
Quenching of vibrationally excited molecules by ultracold collisions with ions: Controlling the scattering via changes of internal states
EPL 77 (2007) doi:10.1209/0295-5075/77/33001


F. A. Gianturco and T. Stoecklin
Low-energy electron scattering from gaseous CS2: angular distributions and effect of exchange forces
Eur. Phys. J. D 42, 85-91 (2007) doi:10.1140/epjd/e2007-00032-x


M. Tacconi, E. Bodo and F. A. Gianturco
Interaction of NH(X-3 Sigma(-)) with Rb and Cs atoms: similarities and differences from an highly correlated ab initio study
THEORETICAL CHEMISTRY ACCOUNTS 117, 649-662 (2007) doi:10.1007/s00214-006-0193-2


I. Baccarelli, F. A. Gianturco, A. Grandi, N. Sanna, R. R. Lucchese, I. Bald, J. Kopyra and E. Illenberger
Selective bond breaking in beta-D-ribose by gas-phase electron attachment around 8 eV
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129, 6269-6277 (2007) doi:10.1021/ja070542h


E. Yurtsever, E. Yildirim, M. Yurtsever, E. Bodo and F. A. Gianturco
Solvation of K+ in helium droplets
Eur. Phys. J. D 43, 105-108 (2007) doi:10.1140/epjd/e2007-00068-x

 

F. A. Gianturco and K. Willner
Ramsauer-Townsend effect for electron scattering from gaseous CF4 molecules
Phys. Rev. A 75 (2007) doi:10.1103/PhysRevA.75.062714

 

F. Marinetti, E. Coccia, E. Bodo, F. A. Gianturco, E. Yurtsever, M. Yurtsever and E. Yildirim
Bosonic helium clusters doped by alkali metal cations: interaction forces and analysis of their most stable structures
THEORETICAL CHEMISTRY ACCOUNTS 118, 53-65 (2007) doi:10.1007/s00214-006-0240-z

 

L. Gonzalez-Sanchez, E. Bodo and F. A. Gianturco
Quenching of molecular ions by He buffer loading at ultralow energies: rotational cooling of OH+((3)Sigma(-)) from quantum calculations
Eur. Phys. J. D 44, 65-72 (2007) doi:10.1140/epjd/e2007-00156-y

 

P. Villarreal, M. P. De lara-Castells, R. Prosmiti, G. Delgado-Barrio, D. Lopez-Duran, F. A. Gianturco and J. Jellinek
Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule
PHYSICA SCRIPTA 76, C96-C103 (2007) doi:10.1088/0031-8949/76/3/N15

 

E. Bodo, E. Coccia, D. Lopez-Duran and F. A. Gianturco
Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach
PHYSICA SCRIPTA 76, C104-C110 (2007) doi:10.1088/0031-8949/76/3/N16

 

M. Tacconi, L. Gonzalez-Sanchez, E. Bodo and F. A. Gianturco
Collisions of NH((3)Sigma(-)) with Rb and Cs at ultralow energies: A quantum study of rotational cooling efficiency
Phys. Rev. A 76 (2007) doi:10.1103/PhysRevA.76.032702

 

M. P. de Lara-Castells, R. Prosmiti, D. Lopez-Duran, G. Delgado-Barrio, P. Villarreal, F. Gianturco and J. Jellinek
Doped helium clusters analyzed through quantum chemistry methods
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107, 2902-2921 (2007) doi:10.1002/qua.21446

 

I. Baccarelli, F. A. Gianturco, T. Gonzalez-Lezana, G. Delgado-Barrio, S. Miret-Artes and P. Villarreal
Vibrational and rotational bound states in floppy triatomic systems: The distributed Gaussian functions approach
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS 452, 1-32 (2007) doi:10.1016/j.physrep.2007.07.002

 

F. Marinetti, L. Uranga-Pina, E. Coccia, D. Lopez-Duran, E. Bodo and F. A. Gianturco
Microsolvation of cationic dimers in He-4 droplets: Geometries of A(2)(+)(He)(N) (A = Li, Na, K) from optimized energies
J. Phys. Chem. A 111, 12289-12294 (2007) doi:10.1021/jp0748361

 

S. Bovino, E. Bodo and F. A. Gianturco
Collisional quenching at ultralow energies: Controlling efficiency with internal state selection
J. Chem. Phys. 127 (2007) doi:10.1063/1.2800658

 

D. Toffoli, P. Decleva, F. A. Gianturco and R. R. Lucchese
Density functional theory for the photoionization dynamics of uracil
J. Chem. Phys. 127 (2007) doi:10.1063/1.2813349

 

L. Gonzalez-Sanchez, E. Bodo and F. A. Gianturco
Collisional quenching of rotations in lithium dimers by ultracold helium: The Li-2(a (3)Sigma(+)(u)) and Li-2(+)(X (2)Sigma(+)(g)) targets
J. Chem. Phys. 127 (2007) doi:10.1063/1.2803190

2006


C. Piccarreta and F. Gianturco
The structuring of a molecular dopant in a quantum solvent - OCS(H-2)(N) Van der Waals clusters
Eur. Phys. J. D 37, 93-103 (2006) doi:10.1140/epjd/e2005-00245-y


E. Yurtsever, F. Sebastianelli and F. Gianturco
Fragmentation dynamics of Ne-3(+) clusters: A classical trajectory study
COMPUTATIONAL MATERIALS SCIENCE 35, 163-168 (2006) doi:10.1016/j.commatsci.2005.05.002


F. Sebastianelli, E. Bodo, I. Baccarelli, C. Di Paola, F. Gianturco and M. Yurtsever
Microsolvation of Li+ in bosonic helium clusters. I. Many-body effects on the structures of the small aggregates
COMPUTATIONAL MATERIALS SCIENCE 35, 261-267 (2006) doi:10.1016/j.commatsci.2004.07.011


E. Bodo, M. Lara and F. Gianturco
Isotopic replacement in ionic systems: The He-4(2)++He-3 -> He-3 He-4(+)+He-4 reaction
J. Chem. Phys. 124 (2006) doi:10.1063/1.2155480

 

E. Bodo, E. Yurtsever, M. Yurtsever and F. Gianturco
Ionic dimers in He droplets: Interaction potentials for Li-2(+)-He,Na-2(+)-He, and K-2(+)-He and stability of the smaller clusters
J. Chem. Phys. 124 (2006) doi:10.1063/1.2172610

 

L. Gonzalez-Sanchez, E. Bodo and F. Gianturco
Quantum scattering of OH(X-2 Pi) with He(S-1): Propensity features in rotational relaxation at ultralow energies
Phys. Rev. A 73 (2006) doi:10.1103/PhysRevA.73.022703

 

F. Gianturco, J. Franz, R. Buenker, H. Liebermann, L. Pichl, J. Rost, M. Tachikawa and M. Kimura
Positron binding to alkali-metal hydrides: The role of molecular vibrations
Phys. Rev. A 73 (2006) doi:10.1103/PhysRevA.73.022705

 

E. Bodo and F. Gianturco
Ultra low-energy behavior of an ionic replacement reaction (HeHe+)-He-3-He-4+He-4 -> He-4(2)++He-3
Phys. Rev. A 73 (2006) doi:10.1103/PhysRevA.73.032702

 

I. Baccarelli, F. Gianturco, T. Gonzalez-Lezana, G. Delgado-Barrio, S. Miret-Artes and P. Villarreal
Rovibrational structures in floppy triatomics: Distributed Gaussian functions treatment for the Ne2H- system
J. Phys. Chem. A 110, 5487-5494 (2006) doi:10.1021/jp0563890

 

S. Telega and F. Gianturco
Modelling electron-N-2 scattering in the resonant region - Integral cross-sections from space-fixed coupled channel calculations
Eur. Phys. J. D 38, 495-500 (2006) doi:10.1140/epjd/e2006-00036-0

 

E. Bodo, F. A. Gianturco and E. Yurtsever
Vibrational quenching at ultralow energies: Calculations of the Li-2((1)Sigma(+)(g);nu >> 0)+He superelastic scattering cross sections
Phys. Rev. A 73 (2006) doi:10.1103/PhysRevA.73.052715

 

J. Franz and F. A. Gianturco
Annihilation rates of low-energy positron scattering from simple diatomic molecules
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 247, 20-24 (2006) doi:10.1016/j.nimb.2006.01.033

 

E. Bodo and F. A. Gianturco
Collisional quenching of molecular ro-vibrational energy by He buffer loading at ultralow energies
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY 25, 313-351 (2006) doi:10.1080/01442350600772928

 

F. A. Gianturco and R. R. Lucchese
Electron scattering by formic acid in the gas phase: comparing measured and computed angular distributions
Eur. Phys. J. D 39, 399-405 (2006) doi:10.1140/epjd/e2006-00112-5

 

J. Franz and F. A. Gianturco
Vibrational excitation of acetylene by positron impact - The totally symmetric modes at near-threshold energies
Eur. Phys. J. D 39, 407-413 (2006) doi:10.1140/epjd/e2006-00115-2

 

F. Marinetti, E. Bodo and F. A. Gianturco
Ionic OH as dopant of helium droplets: Ab initio potential energy surfaces for OH+((3)Sigma(-))-He-4, OH-((1)Sigma(-))-He-4, and stable structures of their smaller clusters
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 5, 543-564 (2006) doi:10.1142/S0219633606002519

 

E. Scifoni, F. A. Gianturco, S. Y. Grebenshchikov and R. Schinke
Energies and spatial features for the rotationless bound states of He-4(3)+((2)Sigma(+)(g)): A cationic core from helium cluster ionization
J. Chem. Phys. 125 (2006) doi:10.1063/1.2358986

 

L. Gonzalez-Sanchez, F. Marinetti, E. Bodo and F. A. Gianturco
OH-(X-1 Sigma(+)) collisions with He-4(S-1) at vanishing energies: a quantum analysis of rotational quenching efficiency
J. Phys. B 39, S1203-S1213 (2006) doi:10.1088/0953-4075/39/19/S27

 

K. Willner and F. A. Gianturco
Low-energy expansion of the Jost function for long-range potentials
Phys. Rev. A 74 (2006) doi:10.1103/PhysRevA.74.052715

 

M. P. de Lara-Castells, R. Prosmiti, G. Delgado-Barrio, D. Lopez-Duran, P. Villarreal, F. A. Gianturco and J. Jellinek
Polar di-halogen molecules solvated in bosonic helium clusters: The paradigm of ICl(X)
Phys. Rev. A 74 (2006) doi:10.1103/PhysRevA.74.053201

 

I. Baccarelli, A. Grandi, F. A. Gianturco, R. R. Lucchese and N. Sanna
Electron-attachment resonances of glycine zwitterions from quantum scattering calculations: Modeling macrosolvation effects
JOURNAL OF PHYSICAL CHEMISTRY B 110, 26240-26247 (2006) doi:10.1021/jp065872n

 

F. A. Gianturco and T. Stoecklin
Scattering of electrons from gas-phase N2O((1)Sigma): Computed cross-sections and angular distributions in comparison with experiments
Eur. Phys. J. D 40, 369-375 (2006) doi:10.1140/epjd/e2006-00170-7

 

C. Di Paola, E. Bodo and F. A. Gianturco
Adaptive clustering of a quantum solvent: the LiH+ cation in bosonic helium from stochastic calculations
Eur. Phys. J. D 40, 377-385 (2006) doi:10.1140/epjd/e2006-00184-1

 

S. Orlandini, I. Baccarelli and F. A. Gianturco
Competitive bond breaking in floppy molecular trimers: HeNeH and HeNeH- calculations
J. Chem. Phys. 125 (2006) doi:10.1063/1.2403135

 

S. Telega and F. A. Gianturco
Electron-molecule scattering in gases at very low energies: a comparison of theory and experiment for the nitrogen ((1)Sigma(+)(g)) target
Mol. Phys. 104, 3147-3154 (2006) doi:10.1080/00268970601012793

 2005


J. del Valle and F. Gianturco
Collisional 'heating' of molecular rotations by positron impact: a computational analysis of the quantum dynamics
Phys. Chem. Chem. Phys. 7, 318-325 (2005) doi:10.1039/b411035h


S. Irrera and F. Gianturco
Vibrational excitation of CF4 by electron impact: a computational analysis
NEW JOURNAL OF PHYSICS 7 (2005) doi:10.1088/1367-2630/7/1/001


F. Gianturco, T. Gonzalez-Lezana, G. Delgado-Barrio and P. Villarreal
The binding of He-4 and He-3 to a hydrogen molecule: A computational study for pH(2) and oH(2)
J. Chem. Phys. 122 (2005) doi:10.1063/1.1847511


I. Baccarelli, F. Gianturco, T. Gonzalez-Lezana, G. Delgado-Barrio, S. Miret-Artes and P. Villarreal
A complete configurational study for the bound states of Ne trimers
J. Chem. Phys. 122 (2005) doi:10.1063/1.1850096


E. Bodo, F. Gianturco and E. Yurtsever
The weak Li-2-He interaction revisited: A combined ab-initio and empirical modelling.
JOURNAL OF LOW TEMPERATURE PHYSICS 138, 259-264 (2005) doi:10.1007/s10909-005-1560-4


E. Bodo, F. Gianturco, F. Sebastianelli, E. Yurtsever and M. Yurtsever
Rotational cooling of Li-2((1)Sigma(+)(g))molecules by ultracold collisions with an He gas buffer (vol 112, pg 263, 2004)
THEORETICAL CHEMISTRY ACCOUNTS 113, 132 (2005) doi:10.1007/s00214-005-0627-2


I. Baccarelli, F. Gianturco, T. Gonzalez-Lezana, G. Delgado-Barrio, S. Miret-Artes and P. Villarreal
Bound-state energies in argon trimers via a variational expansion: The effects from many-body corrections
J. Chem. Phys. 122 (2005) doi:10.1063/1.1879972


M. de Lara-Castells, D. Lopez-Duran, G. Delgado-Barrio, P. Villarreal, C. Di Paola, F. Gianturco and J. Jellinek
Energies and density distributions of (He-4)(N) clusters doped with Br-2(X): A Hartree-like approach
Phys. Rev. A 71 (2005) doi:10.1103/PhysRevA.71.033203


T. Nishimura and F. Gianturco
The dominant "heating" mode: bending excitation of water molecules by low-energy positron impact
Eur. Phys. J. D 33, 221-228 (2005) doi:10.1140/epjd/e2005-00038-4


E. Bodo, F. Sebastianelli, F. Gianturco and I. Pino
Microsolvation of LiH+ in helium clusters: Many-body effects and additivity models for the interaction forces
J. Phys. Chem. A 109, 4252-4260 (2005) doi:10.1021/jp0448144

 

C. Sanz, E. Bodo and F. Gianturco
Energetics and structure of the bound states in a lithium complex: The (LiH2)(+) electronic ground state
Chem. Phys. 314, 135-142 (2005) doi:10.1016/j.chemphys.2005.02.006

 

E. Scifoni, E. Bodo and F. Gianturco
Ionic reactions in He nanodroplets: The [LiHHe](+) complex and its possible energy pathways into products from ab initio calculations
J. Chem. Phys. 122 (2005) doi:10.1063/1.1926270

 

C. Di Paola, F. Gianturco, D. Lopez-Duran, M. de Lara-Castells, G. Delgado-Barrio, P. Villarreal and J. Jellineke
Br-2(X)Microsolvation in helium clusters: Effect of the interaction on quantum solvent density distribution
CHEMPHYSCHEM 6, 1348-1356 (2005) doi:10.1002/cphc.200400530

 

J. Del Valle, E. Bodo and F. Gianturco
Rotational cooling of molecular gases by positron impact at vanishing collision energies
J. Phys. B 38, 2069-2077 (2005) doi:10.1088/0953-4075/38/13/001

 

T. Nishimura and F. Gianturco
Enhanced positron annihilation in small gaseous hydrocarbons: Threshold effects from symmetric C-H bond deformations
Phys. Rev. A 72 (2005) doi:10.1103/PhysRevA.72.022706

 

F. Gianturco, R. Lucchese, J. Langer, I. Martin, M. Stano, G. Karwasz and E. Illenberger
Modelling electron-induced processes in "condensed" formic acid - Resonant states of (HCOOH)(-)(2) at low energies
Eur. Phys. J. D 35, 417-428 (2005) doi:10.1140/epjd/e2005-00233-3

 

C. Di Paola and F. Gianturco
Microsolvation of neutral dopants in small He clusters: relative locations of Li and Na atoms
Eur. Phys. J. D 35, 513-520 (2005) doi:10.1140/epjd/e2005-00169-6

 

C. Di Paola, F. Sebastianelli, E. Bodo, I. Baccarelli, F. Gianturco and M. Yurtsever
Microsolvation of Li+ in small He clusters. Li+Hen species from classical and quantum calculations
JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1, 1045-1054 (2005) doi:10.1021/ct050072m

 

F. Gianturco, P. Nichols, T. Gibson and R. Lucchese
Metastable trapping of low-energy positrons by cubane: A computational experiment
Phys. Rev. A 72 (2005) doi:10.1103/PhysRevA.72.032724

 

S. Telega and F. Gianturco
Vibrational inelastic electron-H-2 scattering revisited: numerically converged coupled channels space frame calculations with model interactions
Eur. Phys. J. D 36, 271-280 (2005) doi:10.1140/epjd/e2005-00244-0

 

E. Bodo, F. Gianturco, E. Yurtsever and M. Yurtsever
Neutral and ionic dopants in helium clusters: interaction forces for the Li-2(a(3)Sigma(+)(u))-He and Li-2(+)(X-2 Sigma(+)(g))-He complexes
Mol. Phys. 103, 3223-3231 (2005) doi:10.1080/00268970500190963

 

J. A. Sabin del Valle, S. Telega and F. A. Gianturco
LOW-ENERGY ROTATIONAL EXCITATION OF H-2 AND N-2 BY POSITRON IMPACT. I - COMPUTED PARTIAL CROSS SECTIONS
REVISTA CUBANA DE FISICA 22, 32-36 (2005) 

 

J. A. Sabin del Valle, S. Telega and F. A. Gianturco
LOW-ENERGY ROTATIONAL EXCITATION OF H-2 AND N-2 BY POSITRON IMPACT. II - COMPARISON WITH ELECTRON IMPACT
REVISTA CUBANA DE FISICA 22, 37-40 (2005) 

 2004


T. Nishimura and F. Gianturco
Vibrational excitation of water by low-energy electron scattering: Calculations and experiments
EUROPHYSICS LETTERS 65, 179-185 (2004) doi:10.1209/epl/i2003-10077-3


T. Nishimura and F. Gianturco
The scattering of positrons from CF4 molecules at ultralow energies
J. Phys. B 37, 215-223 (2004) doi:10.1088/0953-4075/37/1/013


F. Gianturco, R. Lucchese, A. Grandi and N. Sanna
Low-energy electron scattering by cubane: Resonant states and Ramsauer-Townsend features from quantum calculations in the gas phase
J. Chem. Phys. 120, 4172-4181 (2004) doi:10.1063/1.1637571


F. Gianturco and R. Lucchese
Radiation damage of biosystems mediated by secondary electrons: Resonant precursors for uracil molecules
J. Chem. Phys. 120, 7446-7455 (2004) doi:10.1063/1.1688320


F. Gianturco and J. Raimond
Untitled
Eur. Phys. J. D 29, 3-4 (2004) doi:10.1140/epjd/e2004-00039-9


E. Bodo, F. Sebastianelli, F. Gianturco, E. Yurtsever and M. Yurtsever
Ab initio quantum dynamics with very weak van der Waals interactions: Structure and stability of small Li-2((1)Sigma(+)(g))-(He)(n) clusters
J. Chem. Phys. 120, 9160-9166 (2004) doi:10.1063/1.1701834


S. Telega, E. Bodo and F. Gianturco
Rotationally inelastic collisions of electrons with H-2 and N-2 molecules: converged space-frame calculations at low energies
Eur. Phys. J. D 29, 357-365 (2004) doi:10.1140/epjd/e2004-00046-x


T. Nishimura and F. Gianturco
Computing vibrational effects in low-energy positron scattering from polyatomic molecules: the H2O and C2H2 stretching modes
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 221, 24-29 (2004) doi:10.1016/j.nimb.2004.03.026


F. Gianturco and R. Lucchese
Nanoscopic models for radiobiological damage: metastable precursors of dissociative electron attachment to formic acid
NEW JOURNAL OF PHYSICS 6 (2004) doi:10.1088/1367-2630/6/1/066


F. Sebastianelli, I. Baccarelli, C. Di Paola and F. Gianturco
Replacement equivalence of H- and argon in small (Ar)(n)H- clusters from optimized structure calculations
J. Chem. Phys. 121, 2094-2104 (2004) doi:10.1063/1.1772367

 

A. Grandi, F. Gianturco and N. Sanna
H- desorption from uracil via metastable electron capture
Phys. Rev. Lett. 93 (2004) doi:10.1103/PhysRevLett.93.048103

 

D. Lopez-Duran, M. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, C. Di Paola, F. Gianturco and J. Jellinek
Raman spectra of (He)(N)-Br-2(X) clusters: The role of boson/fermion statistics in a quantum solvent
J. Chem. Phys. 121, 2975-2984 (2004) doi:10.1063/1.1769369

 

D. Lopez-Duran, M. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, C. Di Paola, F. Gianturco and J. Jellinek
Role of boson-fermion statistics on the Raman spectra of Br-2(X) in helium clusters
Phys. Rev. Lett. 93 (2004) doi:10.1103/PhysRevLett.93.053401

 

F. Gianturco and R. Lucchese
Resonant capture of low-energy electrons by gas-phase glycine: A quantum dynamics calculation
J. Phys. Chem. A 108, 7056-7062 (2004) doi:10.1021/jp049237y

 

E. Scifoni, G. Dellepiane and F. Gianturco
Charged cores in ionized He-4 clusters II: Ab initio calculations for the He-2(+)+He system and Many-Body fitting of the computed points
Eur. Phys. J. D 30, 353-362 (2004) doi:10.1140/epjd/e2004-00108-1

 

E. Scifoni, E. Bodo, G. Dellepiane and F. Gianturco
Charged cores in ionized He-4 clusters III: A quantum modeling for the collisional relaxation dynamics
Eur. Phys. J. D 30, 363-368 (2004) doi:10.1140/epjd/e2004-00109-0

 

F. Sebastianelli and F. Gianturco
Attachment and solvation of the H- dopant: Structures of NenH- and ArnH- clusters from energy-optimizing calculations
J. Phys. Chem. A 108, 8633-8640 (2004) doi:10.1021/jp0492164

 

E. Bodo, F. Gianturco, N. Balakrishnan and A. Dalgarno
Chemical reactions in the limit of zero kinetic energy: virtual states and Ramsauer minima in F+H-2 -> HF+H
J. Phys. B 37, 3641-3648 (2004) doi:10.1088/0953-4075/37/18/007

 

E. Bodo, F. Gianturco, F. Sebastianelli, E. Yurtsever and M. Yurtsever
Rotational cooling of Li-2((1)Sigma(+)(g)) molecules by ultracold collisions with a helium gas buffer
THEORETICAL CHEMISTRY ACCOUNTS 112, 263-269 (2004) doi:10.1007/s00214-004-0586-z

 

T. Nishimura and F. Gianturco
Low-energy positron scattering: Modelling the formation of bound [M-e(+)] states in deformed polyatomic molecules
EUROPHYSICS LETTERS 68, 377-383 (2004) doi:10.1209/epl/i2004-10225-3

 

E. Bodo and F. Gianturco
Features of chemical reactions at vanishing kinetic energy: the presence of internally "hot" reagents
Eur. Phys. J. D 31, 423-427 (2004) doi:10.1140/epjd/e2004-00116-1

 2003


M. Satta, E. Scifoni and F. Gianturco
Dynamical ionization of the He-4 trimer: A time-dependent modeling of its fragmentation
J. Chem. Phys. 118, 2606-2611 (2003) doi:10.1063/1.1535418


C. Di Paola, F. Gianturco, G. Delgado-Barrio, S. Miret-Artes and P. Villarreal
The He-4 trimer: Structure and energetics of a very unusual molecule
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS 68, 1-22 (2003) doi:10.1135/cccc20030001


R. Martinazzo, E. Bodo and F. Gianturco
A modified Variable-Phase algorithm for multichannel scattering with long-range potentials
COMPUTER PHYSICS COMMUNICATIONS 151, 187-198 (2003) doi:10.1016/S0010-4655(02)00737-3


F. Gianturco, R. Lucchese and N. Sanna
Trapped metastable anions in low-energy electron scattering from C-20 clusters
J. Chem. Phys. 118, 4013-4024 (2003) doi:10.1063/1.1540617


F. Paesani, A. Viel, F. Gianturco and K. Whaley
Transition from molecular complex to quantum solvation in (HeNOCS)-He-4
Phys. Rev. Lett. 90 (2003) doi:10.1103/PhysRevLett.90.073401


R. Martinazzo, E. Bodo, F. Gianturco and M. Raimondi
Three-dimensional reactive surfaces for the LiH2+ system: an analysis of accurate ab initio results
Chem. Phys. 287, 335-348 (2003) doi:10.1016/S0301-0104(02)01021-2


T. Nishimura and F. Gianturco
Virtual-state formation in positron scattering from vibrating molecules: A gateway to annihilation enhancement
Phys. Rev. Lett. 90 (2003) doi:10.1103/PhysRevLett.90.183201


F. Sebastianelli, F. Gianturco and E. Yurtsever
Finding the global minima of (Ne)(n)(+) clusters with non-empirical models: a comparison of results
Chem. Phys. 290, 279-295 (2003) doi:10.1016/S0301-0104(03)00153-8


A. Occhigrossi and F. Gianturco
Low-energy positron dynamics in small hydrocarbon gases
J. Phys. B 36, 1383-1395 (2003) doi:10.1088/0953-4075/36/7/308


F. Sebastianelli, I. Baccarelli, C. Di Paola and F. Gianturco
Structural and quantum effects from anionic centers in rare gas clusters: The (Ne)nH(-) and (Ne)(n+1) systems
J. Chem. Phys. 119, 5570-5582 (2003) doi:10.1063/1.1599343

 

E. Bodo and F. Gianturco
Collisional cooling of polar diatomics in He-3 and He-4 buffer gas: A quantum calculation at ultralow energies
J. Phys. Chem. A 107, 7328-7336 (2003) doi:10.1021/jp030303q

 

E. Bodo, F. Gianturco and R. Martinazzo
The gas-phase lithium chemistry in the early universe: elementary processes, interaction forces and quantum dynamics
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS 384, 85-119 (2003) doi:10.1016/S0370-1573(03)00243-6

 

F. Gianturco, T. Gibson, P. Nichols, R. Lucchese and T. Nishimura
Modeling dynamical correlation forces in low-energy positron scattering from polyatomic gases: a comparison for CH4
RADIATION PHYSICS AND CHEMISTRY 68, 673-680 (2003) doi:10.1016/S0969-806X(03)00198-1

 

F. Sebastianelli, C. Di Paola, I. Baccarelli and F. Gianturco
Quantum and classical structures for He-4 clusters with the H- impurity
J. Chem. Phys. 119, 8276-8288 (2003) doi:10.1063/1.1612477

 

R. Martinazzo, G. Tantardini, E. Bodo and F. Gianturco
Accurate potential energy surfaces for the study of lithium-hydrogen ionic reactions
J. Chem. Phys. 119, 11241-11248 (2003) doi:10.1063/1.1621852

 2002


F. Gianturco, G. Kashenock, R. Lucchese and N. Sanna
Low-energy resonant structures in electron scattering from C-20 fullerene
J. Chem. Phys. 116, 2811-2824 (2002) doi:10.1063/1.1433964


E. Bodo, F. Gianturco and A. Dalgarno
Quenching of vibrationally excited CO(nu=2) molecules by ultra-cold collisions with He-4 atoms
Chem. Phys. Lett. 353, 127-130 (2002) doi:10.1016/S0009-2614(01)01501-9


R. Curik and F. Gianturco
A computational analysis of low-energy electron scattering from gaseous cyclopropane
J. Phys. B 35, 717-732 (2002) doi:10.1088/0953-4075/35/3/321


R. Curik and F. Gianturco
Quantum calculations for resonant vibrational excitations of cyclopropane by electron impact
J. Phys. B 35, 1235-1250 (2002)


E. Bodo, F. Gianturco and A. Dalgarno
F+D-2 reaction at ultracold temperatures
J. Chem. Phys. 116, 9222-9227 (2002) doi:10.1063/1.1472515


P. Carsky, R. Curik, F. Gianturco, R. Lucchese and M. Polasek
Computing the exchange interaction in electron scattering from polyatomic molecules
Phys. Rev. A 65 (2002) doi:10.1103/PhysRevA.65.052713


F. Paesani and F. Gianturco
Vibrational effects in a weakly-interacting quantum solvent: The CO molecule in He-4 gas and in He-4 droplets
J. Chem. Phys. 116, 10170-10182 (2002) doi:10.1063/1.1478690


F. Gianturco
Thematic issue - Structure and dynamics of weakly bound clusters and aggregates - Preface
COMPUTER PHYSICS COMMUNICATIONS 145, XI-XII (2002) doi:10.1016/S0010-4655(02)00144-3


F. Gianturco and F. Filippone
Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods
COMPUTER PHYSICS COMMUNICATIONS 145, 78-96 (2002) doi:10.1016/S0010-4655(02)00148-0


 T. Gonzalez-Lezana, S. Miret-Artes, G. Delgado-Barrio, P. Villarreal, J. Rubayo-Soneira, I. Baccarelli, F. Paesani and F. Gianturco
A variational method to treat diffuse states in weakly bound trimers
COMPUTER PHYSICS COMMUNICATIONS 145, 156-183 (2002) doi:10.1016/S0010-4655(02)00152-2

 

E. Bodo, F. Gianturco and A. Dalgarno
The reaction of F+D-2 at ultra-low temperatures: the effect of rotational excitation
J. Phys. B 35, 2391-2396 (2002) doi:10.1088/0953-4075/35/10/316

 

M. Satta, E. Bodo, R. Martinazzo and F. Gianturco
Photoexcitation of LiH2+ from selected initial states: A time-dependent model
J. Chem. Phys. 117, 177-186 (2002) doi:10.1063/1.1482695

 

F. Paesani and F. Gianturco
Cluster nucleation effects in CO(Ar)(n): A stochastic analysis
J. Chem. Phys. 117, 709-718 (2002) doi:10.1063/1.1482430

 

T. Nishimura and F. Gianturco
Positron-impact vibrational excitation of CH4: Comparing calculations with experiments for the symmetric and antisymmetric stretching modes
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 192, 17-25 (2002) doi:10.1016/S0168-583X(02)00701-2

 

T. Nishimura and F. Gianturco
Vibrational excitation of methane by positron impact: Computed quantum dynamics and sensitivity tests
Phys. Rev. A 65 (2002) doi:10.1103/PhysRevA.65.062703

 

C. Di Paola, F. Gianturco, F. Paesani, G. Delgado-Barrio, S. Miret-Artes, P. Villarreal, I. Baccarelli and T. Gonzalez-Lezana
Ground states of weakly bound three-atom systems: energies and shapes of (He2X)-He-4 clusters from Monte Carlo calculations
J. Phys. B 35, 2643-2660 (2002) 

 

T. Nishimura and F. Gianturco
Vibrational excitations of CH(4) by electron-impact: a close-coupling treatment
J. Phys. B 35, 2873-2887 (2002) doi:10.1088/0953-4075/35/13/303

 

T. Nishimura and F. Gianturco
Threshold efficiency of vibrational excitation of methane by electron/positron impact: A comparison
EUROPHYSICS LETTERS 59, 674-680 (2002) doi:10.1209/epl/i2002-00178-y

 

F. Sebastianelli, E. Yurtsever and F. Gianturco
Modelling ionic nucleation in small neon clusters
Int. J. Mass. Spectrom. 220, 193-209 (2002) doi:10.1016/S1387-3806(02)00683-8

 

R. Lucchese and F. Gianturco
Electron-molecule collisions in the static-exchange correlation-polarization approximation
636, 213-220 (2002) 

 

M. Satta, F. Sebastianelli and F. Gianturco
Nucleation dynamics in neon trimer photoionization: a time-dependent modelling
Mol. Phys. 100, 3699-3710 (2002) doi:10.1080/00268970210161520

 

E. Scifoni and F. Gianturco
Charged cores in ionized He-4 clusters - I: The He-2(+)... He system
Eur. Phys. J. D 21, 323-333 (2002) doi:10.1140/epjd/e2002-00211-3

 

E. Bodo, E. Scifoni, F. Sebastianelli, F. Gianturco and A. Dalgarno
Rotational quenching in ionic systems at ultracold temperatures
Phys. Rev. Lett. 89 (2002) doi:10.1103/PhysRevLett.89.283201


 

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