Scientific Publications

(version October 03, 2006)






 
 

 
 

 
 

 
 

   

2006    44. "Modeling the heterogeneous reaction probability for chlorine nitrate hydrolysis on ice",
Thomas Loerting
, Andreas F. Voegele, Christofer S. Tautermann, Klaus R. Liedl, Luisa T. Molina, Mario J. Molina,
J. Geophys. Res. (Atmospheres)
111 (2006) D14307.
    43. "Hydrogen chloride-induced surface disordering on ice",
Vivian F. McNeill, Thomas Loerting, Franz M. Geiger, Bernhardt L. Trout, Mario J. Molina,
Proc. Nat. Acad. Sci. USA 103 (2006) 9422-9427.
"From the Cover" Article
    42. "High density amorphous ice from cubic ice",
Thomas Loerting
, Ingrid Kohl, Werner Schustereder, Katrin Winkel, Erwin Mayer,
Chem. Phys. Chem. 7 (2006) 1203-1206.
Front Cover Article
    41. "The relation between high-density and very-high-density amorphous ice",
Thomas Loerting
, Christoph G. Salzmann, Katrin Winkel, Erwin Mayer,
Phys. Chem. Chem. Phys. 8 (2006) 2810-2818.
Invited Review, Front Cover Article
    40. "Amorphous ice: Stepwise formation of very-high-density amorphous ice from low-density amorphous ice at 125 K",
Thomas Loerting
,  Werner Schustereder, Katrin Winkel, Christoph G. Salzmann, Ingrid Kohl, Erwin Mayer,
Phys. Rev. Lett.
96 (2006) 025702.
    39. "Isobaric annealing of high-density amorphous ice between 0.3 and 1.9 GPa: in situ density values and structural changes",
Christoph G. Salzmann, Thomas Loerting, Stefan Klotz, Peter W. Mirwald, Andreas Hallbrucker, Erwin Mayer,
Phys. Chem. Chem. Phys. 8 (2006) 386-397.
2005    38. "Liquid-like relaxation in hyperquenched water at <140 K",
Ingrid Kohl, Luis Bachmann, Erwin Mayer, Andreas Hallbrucker, Thomas Loerting,
Phys. Chem. Chem. Phys. 7 (2005) 3210-3220.
Front Cover Article
Cover of the Year (Royal Society of Chemistry, PCCP)
    37.
"Water Behaviour: Glass transition in hyperquenched water?",
Ingrid Kohl, Luis Bachmann, Erwin Mayer, Andreas Hallbrucker, Thomas Loerting,
Nature 435 (2005) 440, E1-E2. download pdf 
    36.
"Correlation in low-dimensional electronic states on metal surfaces",
A. Menzel, Zh. Zhang, M. Minca, Th. Loerting, C. Deisl, E. Bertel,
New. J. Phys. 7 (2005) 102/1-102/18.
2004
35. "H on Pt(110): An atypical chemisorption site at low coverages",
Zhang, Z.; Minca, M.; Deisl, C.; Loerting, T.; Menzel, A.; Bertel, E.; Zucca, R.; Redinger, J.,
Phys. Rev. B: Cond. Matt. Mat. Phys.
70 (2004) 121401/1-121401/4.
    34. "Sulfurous acid (H2SO3) on Io?",
Thomas Loerting
, Andreas F. Voegele, Christofer S. Tautermann, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl,
Icarus
169 (2004) 242-249.
    33. "On the Formation of the Sulfonate Ion from Hydrated Sulfur Dioxide",
Andreas F. Voegele, Christofer S. Tautermann, Christine Rauch, Thomas Loerting, Klaus R. Liedl,
J. Phys. Chem. A
 108 (2004) 3859-3864.
    32.
"Dynamics of DNA: BI and BII Phosphate Backbone Transitions",
Michael Trieb, Christine Rauch, Bernd Wellenzohn, Fajar Wibowo, Thomas Loerting, Klaus R. Liedl ,
J. Phys. Chem. B
 108 (2004) 2470-2476, 12258.


31.
"Daunomycin intercalation stabilizes distinct backbone conformations of DNA",
Michael Trieb, Christine Rauch, Bernd Wellenzohn, Fajar Wibowo, Thomas Loerting, Erwin Mayer, Klaus R. Liedl,
J. Biomol. Struct. & Dyn
. 21 (2004) 713-724.
2003    30.
"The low temperature dynamics of recovered ice XII as studied by differential scanning calorimetry: a comparison with ice V",
Christoph G. Salzmann, Ingrid Kohl, Thomas Loerting, Erwin Mayer, Andreas Hallbrucker,
Phys. Chem. Chem. Phys.
 5 (2003) 3507-3517, 3565.
    29.
"Reactions of HOBr + HCl + n H2O and HOBr + HBr + n H2O",
Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, Klaus R. Liedl,
Chem. Phys. Lett.
372 (2003) 569-576.
    28.
"Modelling Anhydrous and Aqua Copper(II) Amino Acid Complexes: A New Molecular Mechanics Force Field - Parametrization Based on Quantum Chemical Studies and Experimental Crystal Data",
Jasmina Sabolovic, Christofer S. Tautermann, Thomas Loerting, Klaus R. Liedl,
Inorg. Chem.
 42 (2003) 2268-2279.
    27.
"Raman Spectroscopic Study on Hydrogen Bonding in Recovered Ice IV'',
Christoph G. Salzmann, Ingrid Kohl, Thomas Loerting, Erwin Mayer, Andreas Hallbrucker,
J. Phys. Chem. B 107 (2003) 2802-2807.
    26.
"Ices IV and XII from High-Density Amorphous Ice",
Christoph G. Salzmann, Thomas Loerting, Ingrid Kohl, Erwin Mayer, Andreas Hallbrucker,
Can. J. Phys.
81 (2003) 25-32 .
    25.
"Extended Method for Adiabatic Mode Reordering",
Christofer S. Tautermann, Andreas F. Voegele, Thomas Loerting, Peter Kaps, Klaus R. Liedl,
J. Comput. Chem. 24 (2003) 386-395.
    24.
"Toward Elimination of Discrepancies Between Theory and Experiment: The Hydrolysis of N2O5",
Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, Klaus R. Liedl, 
Phys. Chem. Chem. Phys. 5 (2003) 487-495.
2002    23. "About the Stability of Sulfurous Acid (H2 SO3) and Its Dimer",
Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl,
Chem.-Eur. J. 8 (2002) 5644-5651.
    22.
"The structure of a new dense amorphous ice",
John L. Finney, Daniel T. Bowron, Alan K. Soper, Thomas Loerting, Erwin Mayer, Andreas Hallbrucker,
Phys. Rev. Lett.
 89 (2002) 205503/1-205503/4 
cf. Physics News and Nature News&Views coverage, article by Dennis D. Klug 
    21.
"The Structure, Modelling and Dynamics of  2,7-diisopropoxy-1,8-diarylnaphtalenes",
Carl Thirsk, Geoffrey E. Hawkes, Romano T. Kroemer, Klaus R. Liedl, Thomas Loerting, Rima Nasser, Robin G. Pritchard, Melanie Steele,
John E. Warren, Andrew Whiting,  
J. Chem. Soc., Perkin Trans. 2
 9 (2002) 1510-1519.
     20.
"Reactions of HOCl + HCl + nH2O and HOCl + HBr + nH2O",
Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, Klaus R. Liedl,
J. Phys. Chem. A 106 (2002)7850-7857.
    19. "The optimal tunneling path for the proton transfer in malonaldehyde",
Christofer S. Tautermann, Andreas F. Voegele, Thomas Loerting, Klaus R. Liedl,
J. Chem. Phys. 117 (2002) 1962-1966.
    18. "An accurate semiclassical method to predict ground-state tunneling splittings",
Christofer S. Tautermann, Andreas F. Voegele, Thomas Loerting, Klaus R. Liedl,
J. Chem. Phys. 117 (2002) 1967-1974.
    17. "High-Density Amorphous Ice and Its Transformation to Ice XII",
Ingrid Kohl, Thomas Loerting, Christoph Salzmann, Erwin Mayer, Andreas Hallbrucker,
New Kinds of Phase Transition: Transformation in Disordered Substances, V. V. Brazhkin, S. V. Buldyrev, V. N. Ryhzov, H. E. Stanley,
NATO Science Series II: Mathematics, Physics and Chemistry
81 (2002), 325-334,
book can be bought from Kluwer academic publishers, see contents here.
    16.
"Pure Ice IV from High-Density Amorphous Ice",
Christoph G. Salzmann, Thomas Loerting, Ingrid Kohl, Erwin Mayer, Andreas Hallbrucker,
J. Phys. Chem. B
 106 (2002) 5587-5590.
    15.
"The (Meta-)Stability Domain of Ice XII Revealed between ~158-212K and ~0.7-1.5 GPa on Isobaric Heating of High-Density Amorphous Ice",
Thomas Loerting, Ingrid Kohl, Christoph Salzmann, Erwin Mayer, Andreas Hallbrucker,
J. Chem. Phys.
 116 (2002) 3171-3174.
    14. "The Raman spectrum of Ice XII and its relation to that of a ``New phase of H2O-ice´´",
Christoph Salzmann, Ingrid Kohl, Thomas Loerting, Erwin Mayer, Andreas Hallbrucker,
J. Phys. Chem. B
 106 (2002) 1-6.
    13.
"Towards the Experimental Decomposition Rate of Carbonic Acid (H2CO3) in Aqueous Solution",
Christofer S. Tautermann, Andreas F. Voegele, Thomas Loerting, Ingrid Kohl, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl,
Chem.-Eur. J. 8  (2002) 66-73.
2001    12.
"A Second Distinct Structural ``State´´ of High-Density Amorphous Ice at 77 K and 1 Bar",
Thomas Loerting, Christoph Salzmann, Ingrid Kohl, Erwin Mayer, Andreas Hallbrucker, 
Phys. Chem.
Chem. Phys. 3 (2001) 5355-5357.
cf. Physics News and Nature News&Views coverage, article by Dennis D. Klug 

  11. "The Structure, Modelling and Dynamics of Hindered 5,6-Diarylacenaphthenes.",
W. Cross, G.E. Hawkes, R.T. Kroemer, Klaus R. Liedl, T. Loerting, R. Nasser, R.G. Pritchard, M. Steele, M. Watkinson, A. Whiting,
J. Chem. Soc., Perk. Trans. 2 (2001) 459-467.
    10.
"Water-mediated proton transfer: A mechanistic investigation on the example of the hydration of sulfur oxides",
Thomas Loerting, Klaus R. Liedl,
J. Phys. Chem. A 105 (2001) 5137-5145.
    9.
"The Reaction Rate Constant of Chlorine Nitrate Hydrolysis",
Thomas Loerting, Klaus R. Liedl,
Chem.-Eur. J. 7 (2001) 1662-1669.
    8.
"Prediction of the structure of human Janus kinase 2 (JAK2) comprising the two carboxy-terminal domains reveals a mechanism for autoregulation", Klaus Lindauer, Thomas Loerting, Klaus R. Liedl , Romano T. Kroemer,
Prot. Eng. 14 (2001) 27-37.
2000    7.
"Toward Elimination of Discrepancies between Theory and Experiment: The Rate Constant of the Atmospheric Conversion of SO3 to H2SO4", Thomas Loerting, Klaus R. Liedl,
Proc. Nat. Acad. Sci. USA 97 (2000) 8874-8878.
    6.
"On the competing hydrations of sulfur dioxide and sulfur trioxide in our atmosphere",
Thomas Loerting, Romano T. Kroemer, Klaus R. Liedl,
Chem. Comm. (2000) 999-1000.
    5.
"On the surprising kinetic stability of carbonic acid (H2CO3)",
Thomas Loerting, Christopher Tautermann, Romano T. Kroemer, Ingrid Kohl, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl,
Angew. Chem. Int. Ed. 39 (2000) 891-894.
"Zur überraschenden kinetischen Stabilität von Kohlensäre (H2CO3)",
Thomas Loerting, Christopher Tautermann, Romano T. Kroemer, Ingrid Kohl, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl,
Angew. Chem. 112 (2000) 919-922.
scientific coverage: Science, Highlight in Angew. Chem., ACS(C&E News), Wiley-Press Release 
public coverage: Die Welt, Ask A Scientist, UCR exam (question IX), sciencebase 
1999    4.
"Temperature dependent ways of proton transfer - A benchmark study on cyclic HF oligomers",
Thomas Loerting, Klaus R. Liedl,
J. Phys. Chem. A 103 (1999) 9022-9028.
1998    3.
"Toward Elimination of Discrepancies between Theory and Experiment: Double Proton Transfer in Dimers of Carboxylic Acids",
Thomas Loerting, Klaus R. Liedl,
J. Am. Chem. Soc. 120 (1998) 12595-12600. 
    2. "Predictions of rate constants and estimates for tunneling splittings of concerted proton transfer in small cyclic water clusters",
Thomas Loerting, Klaus R. Liedl, Bernd M. Rode,
J. Chem. Phys. 109 (1998) 2662-2671.  
    1.
"Large Curvature Tunneling Effects Reveal Concerted Hydrogen Exchange Rates in Cyclic Hydrogen Fluoride Clusters Comparable to Carboxylic Acid Dimers",
Thomas Loerting, Klaus R. Liedl, Bernd M. Rode,
J. Am. Chem. Soc. 120 (1998) 404-412.


Non-Peer-Reviewed:

1. "Young Science: Warum ist das Ozonloch so, wie es ist?",
T. Loerting,
science.orf.at
(2002)

2. "Amorphes Festes Wasser unter Druck",  
T. Loerting, I. Kohl, C. Salzmann, E.Mayer, A.Hallbrucker,
physik.at
(Öst. Physik. Ges., Heft1, 2003)

3. "Wie steht es um das Ozonloch?",
T. Loerting,
chemiereport.at
(Ges. Öst. Chemiker, 2003)

4. "Curing or Preventing Climate Change?",
T. Loerting
Voices on U.S. Science & Technology Policy (Austrian Office of Science & Technology in the USA, 2003)