Advances in the study of supercooled water
Paola Gallo, Johannes Bachler, Livia E. Bove, Roland Böhmer, Gaia Camisasca, Luis E. Coronas, Horacio R. Corti, Ingrid de Almeida Ribeiro, Maurice de Koning, Giancarlo Franzese, Violeta Fuentes-Landete, Catalin Gainaru, Thomas Loerting, Joan Manuel Montes de Oca, Peter H. Poole, Mauro Rovere, Francesco Sciortino, Christina M. Tonauer, Gustavo A. Appignanesi;
Eur. Phys. J. E. accepted for publication

Substrate Dependent Charge Transfer Kinetics at the Solid/Liquid Interface of Carbon-Based Electrodes with Potential Application for Organic Na-Ion Batteries.
Daniel Werner, Alexander V. Thoeny, Daniel Winkler, Dogukan H. Apaydin, Thomas Loerting, Engelbert Portenkirchner;
Isr. J. Chem. ASAP article published online October 7, 2021
 doi.org/10.1002/ijch.202100082,  Article

Calorimetric Investigation of Hydrogen-Atom Sublattice Transitions in the Ice VI/XV/XIX Trio.
Tobias M. Gasser, Alexander V. Thoeny, Victoria Greussing, Thomas Loerting;
J. Phys. Chem. B. ASAP article published online October 14, 2021
 doi.org/10.1021/acs.jpcb.1c07508,  Article,  Supporting Information

Experimental evidence for glass polymorphism in vitrified water droplets.
Johannes Bachler, Johannes Giebelmann, Thomas Loerting;
Proc. Natl. Acad. Sci. U.S.A. 118 (30) (2021) e2108194118
 doi: 10.1073/pnas.2108194118 ,  Article,  Supporting Information

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Optical cryomicroscopy and differential scanning calorimetry of buffer solutions containing cryoprotectants.
Astrid Hauptmann, Georg Hoelzl, Thomas Loerting;
Eur. J. Pharm. Biopharm. 163 (2021) 127-140.
 doi:10.1016/j.ejpb.2021.03.015,  Article,  Supporting Information

Structural characterization of ice XIX as the second polymorph related to ice VI.
Tobias M. Gasser, Alexander V. Thoeny, A. Dominic Fortes, Thomas Loerting;
Nature Commun. 12 (2021) 1128.
 doi:10.1038/s41467-021-21161-z,  Article,  Supplementary Information,  Behind the paper

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Near Infrared Spectra of High-Density Crystalline H₂O Ices II, IV, V, VI, IX & XII.
Christina Tonauer, Eva-Maria Köck, Tobias M. Gasser, Violete Fuentes Landete, Raphael Henn, Sophia Mayr, Christian Kirchler, Christian Huck, Thomas Loerting;
J. Phys. Chem. A 125 (2021) 1062-1068.
 doi:10.1021/acs.jpca.0c09764,  Article,  Cover,  Supporting Information 1,  Supporting Information 2

Absence of the liquid-liquid phase transition in aqueous ionic liquids.
Johannes Bachler, Lilli-Ruth Fidler, Thomas Loerting;
Phys. Rev. E 102 (2020) 060601(R).
 doi:10.1103/PhysRevE.102.060601,  Article,  Supporting Information

Using Excimeric Fluorescence to Study How the Cooling Rate Determines the Behavior of Naphthalenes in Freeze-Concentrated Solutions: Vitrification and Crystallization.
Gabriela Ondrušková, Lukáš Veselý, Jan Zezula, Johannes Bachler, Thomas Loerting, Dominik Heger;
J. Phys. Chem. B 124 (46) (2020) 10556-10566.
 doi:10.1021/acs.jpcb.0c07817,  Article,  Supporting Information

On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations.
Dennis F. Dinu, Maren Podewitz, Hinrich Grothe, Thomas Loerting, Klaus R. Liedl;
Theor. Chem. Acc. 139 (2020) 174.
 doi:10.1007/s00214-020-02682-0,  Article,  Supporting Information

Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm.
Violeta Fuentes Landete, Soroush Rasti, Robert Schlögl, Jörg Meyer, Thomas Loerting;
J. Phys. Chem. Lett. 11(19) (2020) 8268-8274.
 doi:10.1021/acs.jpclett.0c02368,  Article,  Supporting Information 1,  Supporting Information 2

Open questions on the structure of crystalline water ices.
Thomas Loerting, Violeta Fuentes Landete, Christina M. Tonauer, Tobias M. Gasser;
Commun. Chem. 3 (2020) 109.
 doi:10.1038/s42004-020-00349-2,  Article

Decomposing anharmonicity and mode-coupling from matrix effects in the IR spectra of matrix-isolated carbon dioxide and methane.
Dennis F. Dinu, Maren Podewitz, Hinrich Grote, Thomas Loerting, Klaus R. Liedl;
Phys. Chem. Chem. Phys. 22 (2020) 17932-17947.
 doi:10.1039/d0cp02121k,  Article,  Supporting Information

Co-deposition of gas hydrates by pressurized thermal evaporation.
Stefan Arzbacher, Nima Rahmatian, Alexander Ostermann, Tobias M. Gasser, Thomas Loerting, Jörg Petrasch;
Phys. Chem. Chem. Phys. 22 (2020) 4266-4275.
 doi:10.1039/c9cp04735b,  Article

The interplay of VSCF/VCI calculations and matrix-isolation IR spectroscopy – Mid infrared spectrum of CH₃CH₂F and CD₃CD₂F.
Dennis F. Dinu, Benjamin Ziegler, Maren Podewitz, Klaus R. Liedl, Thomas Loerting, Hinrich Grothe, Guntram Rauhut;
J. Mol. Spectrosc. 367 (2020) 111224.
 doi:10.1016/j.jms.2019.111224,  Article

Alpha carbonic acid revisited: Carbonic acid monomethyl ester as a solid and its conformational isomerism in the gas phase.
Eva-Maria Köck, Jürgen Bernard, Maren Podewitz, Dennis F. Dinu, Roland G. Huber, Klaus R. Liedl, Hinrich Grothe, Erminald Bertel, Robert Schlögl, Thomas Loerting;
Chem. Eur. J. 26(1) (2020) 285-305.
 doi:10.1002/chem.201904142,  Article,  Supporting Information

Supercooled water: A polymorphic liquid with a cornucopia of behaviors.
Paola Gallo, Thomas Loerting, Francesco Sciortino;
J. Chem. Phys. 151 (2019) 210401.
 doi:10.1063/1.5135706,  Article

Toward Elimination of Discrepancies Between Theory and Experiment: Anharmonic Rotational-Vibrational Spectrum of Water in Solid Noble Gas Matrices.
Dennis F. Dinu, Maren Podewitz, Hinrich Grothe, Klaus R. Liedl, Thomas Loerting;
J. Phys. Chem. A 123 (2019) 8234-8242.
 doi:10.1021/acs.jpca.9b07221,  Article,  Supporting Information,  Cover

Glass transition of LiCl aqueous solutions confined in mesoporous silica.
María Longinotti, Violeta Fuentes Landete, Thomas Loerting, Horacio Corti;
J. Chem. Phys. 151 (2019) 064509.
 doi:10.1063/1.5102142,  Article

Glass polymorphism and liquid–liquid phase transition in aqueous solutions: experiments and computer simulations.
Johannes Bachler, Philip H. Handle, Nicolas Giovambattista, Thomas Loerting;
Phys. Chem. Chem. Phys. 21 (2019) 23238-23268.
 doi:10.1039/C9CP02953B,  Article with Front Cover

Distinguishing Ice β-XV from Deep Glassy Ice VI: Raman Spectroscopy.
Alexander V. Thoeny, Tobias M. Gasser, Thomas Loerting;
Phys. Chem. Chem. Phys. 21 (2019) 15452-15462.
 doi:10.1039/C9CP02147G,  Article

Amorphous and crystalline ices studied by dielectric spectroscopy.
Lucie J. Plaga, Agnes Raidt, Violeta Fuentes Landete, Katrin Amann-Winkel, Bernhard Massani, Tobias M. Gasser, Catalin P. Gainaru, Thomas Loerting, Roland Böhmer;
J. Chem. Phys. 150 (2019) 244501.
 doi:10.1063/1.5100785,  Article

Vitrification and Increase of Basicity in between Ice I_h Crystals in Rapidly Frozen Dilute NaCl Aqueous Solutions.
Kamila Imrichová, Lukáš Veselý, Tobias M. Gasser, Thomas Loerting, Vilém Nedela, Dominik Heger;
J. Chem. Phys. 151 (2019) 014503.
 doi:10.1063/1.5100852,  Article

Structural differences between unannealed and expanded high-density amorphous ice based on isotope substitution neutron diffraction.
Katrin Amann-Winkel, Daniel T. Bowron, Thomas Loerting;
Mol. Phys. (2019) 1-10.
 doi:10.1080/00268976.2019.1649487,  Article

Evidence for high-density liquid water between 0.1 and 0.3 GPa near 150 K.
Josef Stern, Markus Seidl-Nigsch, Thomas Loerting;
Proc. Natl. Acad. Sci. U.S.A. 116(19) (2019) 9191-9196.
 doi:10.1073/pnas.1819832116,  Article,  Supporting Information

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Macroscopic Defects upon Decomposition of CO₂ Clathrate Hydrate Crystals.
Stefan Arzbacher, Nima Rahmatian, Alexander Ostermann, Bernhard Massani, Thomas Loerting, Jörg Petrasch;
Phys. Chem. Chem. Phys. 21 (2019) 9694-9708.
 doi:10.1039/C8CP07871H,  Article,  Supporting Information,  2019 PCCP HOT Article

Nature of water's second glass transition elucidated by doping and isotope substitution experiments.
Violeta Fuentes-Landete, Lucie J. Plaga, Markus Keppler, Roland Böhmer, Thomas Loerting;
Phys. Rev. X 9 (2019) 011015.
 doi:10.1103/PhysRevX.9.011015,  Article

Distribution of Protein Content and Number of Aggregates in Monoclonal Antibody Formulation After Large-Scale Freezing.
Astrid Hauptmann, Georg Hoelzl, Thomas Loerting;
AAPS PharmSciTech 20 (2019) 72.
 doi:10.1208/s12249-018-1281-z,  Article

Thermodynamic and kinetic isotope effects on the order-disorder transition of ice XIV to ice XII.
Violeta Fuentes-Landete, Karsten W. Köster, Roland Böhmer, Thomas Loerting;
Phys. Chem. Chem. Phys. 20(33) (2018) 21607-21616.
 doi:10.1039/c8cp03786h,  Article

Distinct Speciation of Naphthalene Vapor Deposited on Ice Surfaces at 253 or 77 K: Formation of Submicrometer Sized Crystals or an Amorphous Layer.
Gabriela Ondrušková, Ján Krausko, Josef Stern, Astrid Hauptmann, Thomas Loerting, Dominik Heger;
J. Phys. Chem. C 122(22) (2018) 11945-11953.
 doi:10.1021/acs.jpcc.8b03972,  Article

Dynamic signatures of the transition from stacking disordered to hexagonal ice: Dielectric and nuclear magnetic resonance studies.
Catalin Gainaru, Eugen Vynokur, Karsten W. Köster, Violeta Fuentes-Landete, Nadya Spettel, Julia Zollner, Thomas Loerting, Roland Böhmer;
J. Chem. Phys. 148 (2018) 34502.
 doi:10.1063/1.5023178,  Article

On the crystallisation temperature of very high-density amorphous ice.
Josef N. Stern, Thomas Loerting;
Phys. Chem. Chem. Phys. 20 (2018) 12589 - 12598.
 doi:10.1039/C7CP08595H,  Article

Experiments indicating a second hydrogen ordered phase of ice VI.
Tobias M. Gasser, Alexander V. Thoeny, Lucie J. Plaga, Karsten W. Köster, Martin Etter, Roland Böhmer, Thomas Loerting;
Chem. Sci. 9 (2018) 4224 - 4234.
 doi:10.1039/C8SC00135A,  Article with Inside Front Cover

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Impact Of Buffer, Protein Concentration And Sucrose Addition On The Aggregation And Particle Formation During Freezing And Thawing.
Astrid Hauptmann, Katja Podgoršek, Drago Kuzman, Stanko Srcic, Georg Hoelzl, Thomas Loerting;
Pharm. Res. 35(5) (2018) 101.
 doi:10.1007/s11095-018-2378-5,  Article,  Author Correction

Experimental Study of the Polyamorphism of Water: II. The Isobaric Transitions Between HDA and VHDA at Intermediate and High Pressures.
Philip Handle, Thomas Loerting;
J. Chem. Phys. 148(12) (2018) 124509.
 doi:10.1063/1.5019414,  Article

Experimental Study of the Polyamorphism of Water: I. The Isobaric Transitions from Amorphous Ices to LDA at 4 MPa.
Philip Handle, Thomas Loerting;
J. Chem. Phys. 148(12) (2018) 124508.
 doi:10.1063/1.5019413,  Article

Calorimetric study of water's two glass transitions in the presence of LiCl.
Guadalupe N. Ruiz,Katrin Amann-Winkel, Livia E. Bove, Horacio R. Corti, Thomas Loerting;
Phys. Chem. Chem. Phys. 20 (2018) 6401-6408.
 doi:10.1039/C7CP08677F,  Article

High-density amorphous ice: nucleation of nanosized low-density amorphous ice.
Christina M. Tonauer, Markus Seidl-Nigsch, Thomas Loerting;
J. Phys.: Condens. Matter 30 (2018) 034002.
 doi:10.1088/1361-648X/aa9e76,  Article

Supercooled and Glassy Water: metastable liquid(s), amorphous solid(s) and a no-man's land.
Philip Handle, Francesco Sciortino, Thomas Loerting;
Proc. Natl. Acad. Sci. U.S.A. 114(51) (2017) 13336–13344.
 doi:10.1073/pnas.1700103114,  Article,  Editorial

Formation and Decomposition of CO₂-Filled Ice.
Bernhard Massani, Christian Mitterdorfer, Thomas Loerting;
J. Chem. Phys. 147 (2017) 134503.
 doi:10.1063/1.4996270,  Article

Balance between hydration enthalpy and entropy is important for ice binding surfaces in Antifreeze Proteins.
Michael Schauperl, Maren Podewitz, Teresa S. Ortner, Franz Waibl, Alexander Thoeny, Thomas Loerting, Klaus R. Liedl;
Sci. Rep. 7 (2017) 11901.
 doi:10.1038/s41598-017-11982-8,  Article

Genuine antiplasticizing effect of water on a glass-former drug.
Guadalupe Ruiz, Michela Romanini, Astrid Hauptmann, Thomas Loerting, Evgenyi Shalaev, Josep Lluis Tamarit, Luis Carlos Pardo, Roberto Macovec;
Sci. Rep. 7 (2017) 7470.
 doi:10.1038/s41598-017-07643-5,  Article

Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects.
Sonja Lemke, Philip Handle, Lucie Plaga, Josef N. Stern, Markus Seidl, Violeta Fuentes-Landete, Katrin Amann-Winkel, Karsten Köster, Catalin Gainaru, Thomas Loerting, Roland Böhmer;
J. Chem. Phys. 147 (2017) 034506.
 doi:10.1063/1.4993790,  Article

Diffusive dynamics during the high-to-low density transition in amorphous ice.
Fivos Perakis, Katrin Amann-Winkel, Felix Lehmkühler, Michael Sprung, Daniel Pettersson, Jonas A. Sellberg, Harshad Pathak, Alexander Späh, Filippo Cavalca, Daniel Schlesinger, Alessandro Ricci, Avni Jain, Bernhard Massani, Flora Aubree, Chris J. Benmore, Thomas Loerting, Gerhard Grübel, Lars G. M. Pettersson, Anders Nilsson;
Proc. Natl. Acad. Sci. U.S.A. 114 (2017) 8193–8198.
 doi:10.1073/pnas.1705303114,  Article

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Crystallisation of the amorphous ices in the intermediate pressure regime.
Josef Stern, Thomas Loerting;
Sci. Rep. 7 (2017) 3995.
 doi:10.1038/s41598-017-03583-2,  Article

Carbonic acid monoethyl ester as a pure solid and its conformational isomerism in the gas-phase.
Jürgen Bernard, Eva-Maria Köck, Roland G. Huber, Klaus R. Liedl, Ludwig Call, Robert Schlögl, Hinrich Grothe, Thomas Loerting;
RSC Adv. 7 (2017) 22222–22233.
 doi:10.1039/c7ra02792c,  Article

Does the emulsification procedure influence freezing and thawing of aqueous droplets?
Astrid Hauptmann, Karl Handle, Philipp Baloh, Hinrich Grothe, Thomas Loerting;
J. Chem. Phys. 145(21) (2016) 211923.
 doi:10.1063/1.4965434,  Article

Doping-enhanced dipolar dynamics in ice V as a precursor of hydrogen ordering in ice XIII.
Karsten W. Köster, Agnes Raidt, Violeta Fuentes-Landete, Catalin Gainaru, Thomas Loerting, Roland Böhmer;
Phys. Rev. B 94 (2016) 184306.
 doi:10.1103/PhysRevB.94.184306,  Article

Micro-tomographic investigation of ice and clathrate formation and decomposition under thermodynamic monitoring.
Stefan Arzbacher, Jörg Petrasch, Alexander Ostermann, Thomas Loerting;
Materials 9 (2016) 668.
 doi:10.3390/ma9080668,  Article

Water: a Tale of Two Liquids.
Paola Gallo, Katrin Amann-Winkel, C. Austen Angell, Mikhail Anisimov, Frédéric Caupin, Charusita Chakravarty, Erik Lascaris, Thomas Loerting, Athanassios Panagiotopoulos, John Russo, Jonas A. Sellberg, H. Eugene Stanley, Hajime Tanaka, Carlos Vega De Las Heras, Limei Xu, Lars Pettersson;
Chem. Rev. 116(13) (2016) 7463–7500.
 doi:10.1021/acs.chemrev.5b00750,  Article

X-ray and Neutron Scattering of Water.
Katrin Amann-Winkel, Marie-Claire Bellissent-Funel, Livia E. Bove, Thomas Loerting, Anders Nilsson, Alessandro Paciaroni, Daniel Schlesinger, Lawrie Skinner;
Chem. Rev. 116(13) (2016) 7570–7589.
 doi:10.1021/acs.chemrev.5b00663,  Article

Ex situ studies of relaxation and crystallization in high-density amorphous ice annealed at 0.1 and 0.2 GPa: Includes response to: “Comment on: ‘Relaxation time of high-density amorphous ice’” by G.P. Johari.
Philip H. Handle, Markus Seidl, Violeta Fuentes-Landete, Thomas Loerting;
Thermochim. Acta 636 (2016) 11–22.
 doi:10.1016/j.tca.2016.04.012,  Article

Neutron scattering analysis of water's glass transition and micropore collapse in amorphous solid water.
Catherine R. Hill, Christian Mitterdorfer, Tristan G. A. Youngs, Daniel T. Bowron, Helen J. Fraser, Thomas Loerting;
Phys. Rev. Lett. 116 (2016) 215501.
 doi:10.1103/PhysRevLett.116.215501,  Article

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Glass polymorphism in glycerol-water mixtures: I. A computer simulation study.
David A. Jahn, Jessina Wong, Johannes Bachler, Thomas Loerting, Nicolas Giovambattista;
Phys. Chem. Chem. Phys. 18 (2016) 11042–11057.
 doi:10.1039/C6CP00075D,  Article

Glass polymorphism in glycerol-water mixtures: II. Experimental studies.
Johannes Bachler, Violeta Fuentes-Landete, David A. Jahn, Jessina Wong, Nicolas Giovambattista, Thomas Loerting;
Phys. Chem. Chem. Phys. 18 (2016) 11058–11068.
 doi:10.1039/C5CP08069J,  Article

Dynamics anomaly in high-density amorphous ice between 0.7 and 1.1 GPa.
Philip H. Handle, Thomas Loerting;
Phys. Rev. B 93 (2016) 064204.
 doi:10.1103/PhysRevB.93.064204,  Article

Chapter 3: Solids and fluids at low temperatures.
Steve Vance, Matt Kropf, Thomas Loerting, Josef Stern, Baptiste Journaux, Corey Jamieson, Morgan L. Cable;
In: Yoseph Bar-Cohen (Ed.), Low Temperature Materials and Mechanisms Taylor & Francis (2016) 27–54.
 ISBN: 978-1-4987-0038-2,  Article

Colloquium: water's controversial glass transitions.
Katrin Amann-Winkel, Roland Böhmer, Franz Fujara, Catalin Gainaru, Burkhard Geil, Thomas Loerting;
Rev. Mod. Phys. 88 (2016) 011002.
 doi:10.1103/RevModPhys.88.011002,  Article

Experimental evidence for two distinct deeply supercooled liquid states of water. Response to "Comment on 'Water's second glass transition'", by G. P. Johari, Thermochim. Acta (2015).
Josef Stern, Markus Seidl, Catalin Gainaru, Violeta Fuentes-Landete, Katrin Amann-Winkel, Philip Handle, Karsten W. Köster, Helge Nelson, Roland Böhmer, Thomas Loerting;
Thermochim. Acta 617 (2015) 200–207.
 doi:10.1016/j.tca.2015.08.030,  Article

Anomalous behavior of the homogeneous ice nucleation rate in "no-man's land".
Hartawan Laksmono, Trevor A. McQueen, Jonas A. Sellberg, N. Duane Loh, Congcong Huang, Daniel Schlesinger, Raymond G. Sierra, Christina Y. Hampton, Dennis Nordlund, Martin Beye, Andrew V. Martin, Anton Barty, M. Marvin Seibert, Marc Messerschmidt, Garth J. Williams, Sébastien Boutet, Katrin Amann-Winkel, Thomas Loerting, Lars G. M. Pettersson, Michael J. Bogan, Anders Nilsson;
J. Phys. Chem. Lett. 6 (2015) 2826–2832.
 doi:10.1021/acs.jpclett.5b01164,  Article,  Supporting Information

Dynamics enhanced by HCl doping triggers 60% Pauling entropy release at the ice XII–XIV transition.
Karsten W. Köster, Violeta Fuentes-Landete, Agnes Raidt, Markus Seidl, Catalin Gainaru, Thomas Loerting, Roland Böhmer;
Nature Commun. 6 (2015) 7349.
 doi:10.1038/ncomms8349,  Article,  Author Correction (originally submitted on Nov.14th, 2016)

Vibrational study of anharmonicity, supramolecular structure, and hydrogen bonding in two octanol isomers.
Stefan Bauer, Josef Stern, Fabian Böhm, Catalin Gainaru, Martina Havenith, Thomas Loerting, Roland Böhmer;
Vib. Spectrosc. 79 (2015) 59–66.
 doi:10.1016/j.vibspec.2015.05.001,  Article

Crystalline and amorphous ices.
Violeta Fuentes-Landete, Christian Mitterdorfer, Philip H. Handle, Guadalupe N. Ruiz, Juergen Bernard, Anatoli Bogdan, Markus Seidl, Katrin Amann-Winkel, Josef Stern, Stephan Fuhrmann, Thomas Loerting;
In: P. G. Debenedetti, M. A. Ricci and F. Bruni (Eds.), Proceedings of the International School of Physics "Enrico Fermi", Volume 187: Water: Fundamentals as the Basis for Understanding the Environment and Promoting Technology. Amsterdam: IOS and Bologna: SIF 2015, 173–208.
 doi:10.3254/978-1-61499-507-4-173,  Article

Tomography based numerical simulation of the demagnetizing field in soft magnetic composites.
Stefan Arzbacher, Peter Amann, Bernd Weidenfeller, Thomas Loerting, Alexander Ostermann, Jörg Petrasch;
J. Appl. Phys. 117 (2015) 163905.
 doi:10.1063/1.4917490,  Article

Ice nucleation by water-soluble macromolecules.
Bernhard G. Pummer, Carsten Budke, Stefanie Augustin-Bauditz, Dennis Niedermeier, Laura Felgitsch, Christopher J. Kampf, Roland G. Huber, Klaus R. Liedl, Thomas Loerting, Thomas Moschen, Michael Schauperl, Martin Tollinger, Cindy E. Morris, Heike Wex, Hinrich Grothe, Ulrich Pöschl, Thomas Koop, Janine Fröhlich-Nowoisky;
Atmos. Chem. Phys. 15 (2015) 4077–4091.
 doi:10.5194/acp-15-4077-2015,  Article,  Supplement

Shrinking water's no man's land by lifting its low-temperature boundary.
Markus Seidl, Alice Fayter, Josef N. Stern, Gerhard Zifferer, Thomas Loerting;
Phys. Rev. B 91 (2015) 144201.
 doi:10.1103/PhysRevB.91.144201,  Article

Temperature induced amorphisation of hexagonal ice.
Philip H. Handle, Thomas Loerting;
Phys. Chem. Chem. Phys. 17 (2015) 5403–5412.
 doi:10.1039/C4CP05587J,  Article

Multiple glass transitions and freezing events of aqueous citric acid.
Anatoli Bogdan, Mario J. Molina, Heikki Tenhu, Thomas Loerting;
J. Phys. Chem. A 119 (2015) 4515–4523; Special Issue: Mario Molina Festschrift.
 doi:10.1021/jp510331h,  Article

The glass transition in high-density amorphous ice.
Thomas Loerting, Violeta Fuentes-Landete, Philip H. Handle, Markus Seidl, Katrin Amann-Winkel, Catalin Gainaru, Roland Böhmer;
J. Non-Cryst. Solids 407 (2015) 423–430.
 doi:10.1016/j.jnoncrysol.2014.09.003,  Article

Visualization of freezing process in situ upon cooling and warming of aqueous solutions.
Anatoli Bogdan, Mario J. Molina, Heikki Tenhu, Erminald Bertel, Natalia Bogdan, Thomas Loerting;
Sci. Rep. 4 (2014) 7414.
 doi:10.1038/srep07414,  Article,  Legends for videos,  Video 1 (AVI, 5 MB),  Video 2 (AVI, 2 MB),  Video 3 (AVI, 2 MB),  Video 4 (AVI, 7 MB),  Video 5 (AVI, 2 MB)

Anomalously large isotope effect in the glass transition of water.
Catalin Gainaru, Alexander L. Agapov, Violeta Fuentes-Landete, Katrin Amann-Winkel, Helge Nelson, Karsten W. Köster, Alexander I. Kolesnikov, Vladimir N. Novikov, Ranko Richert, Roland Böhmer, Thomas Loerting, Alexei P. Sokolov;
Proc. Natl. Acad. Sci. U.S.A. 111 (2014) 17402–17407.
 doi:10.1073/pnas.1411620111,  Article,  Supporting Information

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Phase separation during freezing upon warming of aqueous solutions.
Anatoli Bogdan, Thomas Loerting;
J. Chem. Phys. 141 (2014) 18C533.
 doi:10.1063/1.4898379,  Article

Ice nucleation by water-soluble macromolecules.
Bernhard G. Pummer, Carsten Budke, Stefanie Augustin-Bauditz, Dennis Niedermeier, Laura Felgitsch, Christopher J. Kampf, Roland G. Huber, Klaus R. Liedl, Thomas Loerting, Thomas Moschen, Michael Schauperl, Martin Tollinger, Cindy E. Morris, Heike Wex, Hinrich Grothe, Ulrich Pöschl, Thomas Koop, Janine Fröhlich-Nowoisky;
Atmos. Chem. Phys. Discuss. 14 (2014) 24273–24309.
 doi:10.5194/acpd-14-24273-2014,  Article,  Article with links,  Supplement

Pressure-induced transformations in LiCl–H₂O at 77 K.
Guadalupe N. Ruiz, Livia E. Bove, Horacio R. Corti, Thomas Loerting;
Phys. Chem. Chem. Phys. 16 (2014) 18553–18562.
 doi:10.1039/C4CP01786B,  Article

Small-angle neutron scattering study of micropore collapse in amorphous solid water.
Christian Mitterdorfer, Marion Bauer, Tristan G. A. Youngs, Daniel T. Bowron, Catherine R. Hill, Helen J. Fraser, John L. Finney, Thomas Loerting;
Phys. Chem. Chem. Phys. 16 (2014) 16013–16020.
 doi:10.1039/C4CP00593G,  Article,  Supplementary Information

Proton ordering of cubic ice Ic: spectroscopy and computer simulations.
Philipp Geiger, Christoph Dellago, Markus Macher, Cesare Franchini, Georg Kresse, Jürgen Bernard, Josef N. Stern, Thomas Loerting;
J. Phys. Chem. C 118 (2014) 10989–10997.
 doi:10.1021/jp500324x,  Article

Simulation of high-density water: its glass transition for various water models.
Martin Jehser, Markus Seidl, Clemens Rauer, Thomas Loerting, Gerhard Zifferer;
J. Chem. Phys. 140 (2014) 134504.
 doi:10.1063/1.4869861,  Article

Cordierite under hydrostatic compression: anomalous elastic behavior as a precursor for a pressure-induced phase transition.
Ronald Miletich, G. Diego Gatta, Thomas Willi, Peter W. Mirwald, Paolo Lotti, Marco Merlini, Nicola Rotiroti, Thomas Loerting;
Am. Mineral. 99 (2014) 479–493.
 doi:10.2138/am.2014.4487,  Article

From parallel to single crystallization kinetics in high-density amorphous ice.
Markus Seidl, Katrin Amann-Winkel, Philip H. Handle, Gerhard Zifferer, Thomas Loerting;
Phys. Rev. B 88 (2013) 174105.
 doi:10.1103/PhysRevB.88.174105,  Article,  Supplemental Material

Water's second glass transition.
Katrin Amann-Winkel, Catalin Gainaru, Philip H. Handle, Markus Seidl, Helge Nelson, Roland Böhmer, Thomas Loerting;
Proc. Natl. Acad. Sci. U.S.A. 110 (2013) 17720–17725.
 doi:10.1073/pnas.1311718110,  Article

Scientific coverage:  Physics Today,  iPoint – Universität Innsbruck,  science.orf.at,  Süddeutsche Zeitung,  Presse am Sonntag

Comment on "Experimental evidence for excess entropy discontinuities in glass-forming solutions" [J. Chem. Phys. 136, 074515 (2012)].
Anatoli Bogdan, Thomas Loerting;
J. Chem. Phys. 139 (2013) 047101.
 doi:10.1063/1.4812929,  Article

Matrix isolation studies of carbonic acid – the vapour phase above the β-polymorph.
Jürgen Bernard, Roland G. Huber, Klaus R. Liedl, Hinrich Grothe, Thomas Loerting;
J. Am. Chem. Soc. 135 (2013) 7732–7737.
 doi:10.1021/ja4020925,  Article,  Supporting Information

Solution coating around ice particles of incipient cirrus clouds.
Anatoli Bogdan, Mario J. Molina, Markku Kulmala, Heikki Tenhu, Thomas Loerting;
Proc. Natl. Acad. Sci. U.S.A. 110 (2013) E2439; Letter to Editor.
 doi:10.1073/pnas.1304471110,  Article (Bogdan et al.),  Reply (Kuhs et al.)

Amorphous ices.
Nicolas Giovambattista, Katrin Amann-Winkel, Thomas Loerting;
In: H. Eugene Stanley (Ed.), Advances in Chemical Physics: Volume 152: Liquid Polymorphism. John Wiley & Sons 2013, 139–173.
 doi:10.1002/9781118540350.ch7,  Article

Ultra-slow dynamics in low density amorphous ice revealed by deuteron NMR: indications for a glass transition.
Florian Löw, Katrin Amann-Winkel, Thomas Loerting, Burkhard Geil, Franz Fujara;
Phys. Chem. Chem. Phys. 15 (2013) 9308–9314.
 doi:10.1039/C3CP50818H,  Article

Limits of metastability in amorphous ices: ²H-NMR relaxation.
Florian Löw, Katrin Amann-Winkel, Burkhard Geil, Thomas Loerting, Carolin Wittich, Franz Fujara;
Phys. Chem. Chem. Phys. 15 (2013) 576–580.
 doi:10.1039/C2CP43543H,  Article

Limits of metastability in amorphous ices: the neutron scattering Debye-Waller factor.
Katrin Amann-Winkel, Florian Löw, Philip H. Handle, Wiebke Knoll, Judith Peters, Burkhard Geil, Franz Fujara, Thomas Loerting;
Phys. Chem. Chem. Phys. 14 (2012) 16386–16391.
 doi:10.1039/C2CP42797D,  Article

Formation and stability of bulk carbonic acid (H₂CO₃) by protonation of tropospheric calcite.
Juergen Bernard, Markus Seidl, Erwin Mayer, Thomas Loerting;
ChemPhysChem 13 (2012) 3087–3091.
 doi:10.1002/cphc.201200422,  Article

Relaxation time of high-density amorphous ice.
Philip H. Handle, Markus Seidl, Thomas Loerting;
Phys. Rev. Lett. 108 (2012) 225901.
 doi:10.1103/PhysRevLett.108.225901,  Article

Scientific coverage:  APA-Aussendung,  iPoint – Universität Innsbruck

Interplay of the glass transition and the liquid-liquid phase transition in water.
Nicolas Giovambattista, Thomas Loerting, Boris R. Lukanov, Francis W. Starr;
Sci. Rep. 2 (2012) 390.
 doi:10.1038/srep00390,  Article,  Supplementary Information

Ferroelectric transition vanishes in (NH₄)₂SO₄ precipitated in small-sized aqueous droplets.
Anatoli Bogdan, Mario J. Molina, Heikki Tenhu, Tuukka Petäjä, Thomas Loerting;
J. Phys. Chem. C 116 (2012) 9372–9377.
 doi:10.1103/10.1021/jp3024205,  Article

Local structural order in carbonic acid polymorphs: Raman and FT-IR spectroscopy.
Christian Mitterdorfer, Juergen Bernard, Frederik Klauser, Katrin Winkel, Ingrid Kohl, Klaus R. Liedl, Hinrich Grothe, Erwin Mayer, Thomas Loerting;
J. Raman Spectrosc. 43 (2012) 108–115.
 doi:10.1002/jrs.3001,  Article

Note: Molecular dynamics studies of high-density amorphous ice: Influence of long-range Coulomb interactions.
Markus Seidl, Ferenc Karsai, Thomas Loerting, Gerhard Zifferer;
J. Chem. Phys. 136 (2012) 026101.
 doi:10.1063/1.3676058,  Article

Clathrate hydrate formation after CO₂–H₂O vapour deposition.
Christian Mitterdorfer, Marion Bauer, Thomas Loerting;
Phys. Chem. Chem. Phys. 13 (2011) 19765–19772; Special Issue: Physics and Chemistry of Ice and Water.
 doi:10.1039/C1CP21856E,  Article

Cryoflotation: densities of amorphous and crystalline ices.
Thomas Loerting, Marion Bauer, Ingrid Kohl, Katrin Watschinger, Katrin Winkel, Erwin Mayer;
J. Phys. Chem. B 115 (2011) 14167–14175; Special Issue: H. Eugene Stanley Festschrift.
 doi:10.1021/jp204752w,  Article

Single freezing and triple melting of micrometer-scaled (NH₄)₂SO₄/H₂O droplets.
Anatoli Bogdan, Mario J. Molina, Heikki Tenhu, Thomas Loerting;
Phys. Chem. Chem. Phys. 13 (2011) 19704–19706; Special Issue: Physics and Chemistry of Ice and Water.
 doi:10.1039/C1CP21770D,  Article

Equilibrated high-density amorphous ice and its first-order transition to the low-density form.
Katrin Winkel, Erwin Mayer, Thomas Loerting;
J. Phys. Chem. B 115 (2011) 14141–14148; Special Issue: H. Eugene Stanley Festschrift.
 doi:10.1021/jp203985w,  Article,  MPEG (18 MB, 01:41 min)

Comment on Y. Yoshimura: "Pressure-induced phase transition of ice in aqueous KOH solution"
Philip H. Handle, Thomas Loerting;
High Pressure Res. 31 (2011) 488–490.
 doi:10.1080/08957959.2011.602677,  Article (Handle et al.),  Reply (Yoshimura)

Impact of substrate, aging, and size on the two freezing events of (NH₄)₂SO₄/H₂O droplets.
Anatoli Bogdan, Thomas Loerting;
J. Phys. Chem. C 115 (2011) 10682–10693.
 doi:10.1021/jp2007396,  Article

How many amorphous ices are there?
Thomas Loerting, Katrin Winkel, Markus Seidl, Marion Bauer, Christian Mitterdorfer, Philip H. Handle, Christoph G. Salzmann, Erwin Mayer, John L. Finney, Daniel T. Bowron;
Phys. Chem. Chem. Phys. 13 (2011) 8783–8794.
 doi:10.1039/c0cp02600j,  Article

Volumetric study consistent with a glass-to-liquid transition in amorphous ices under pressure.
Markus Seidl, Michael S. Elsaesser, Katrin Winkel, Gerhard Zifferer, Erwin Mayer, Thomas Loerting;
Phys. Rev. B 83 (2011) 100201.
 doi:10.1103/PhysRevB.83.100201,  Article

Structural study of low concentration LiCl aqueous solutions in the liquid, supercooled, and hyperquenched glassy states.
Katrin Winkel, Markus Seidl, Thomas Loerting, Livia E. Bove, Silvia Imberti, Valeria Molinero, Fabio Bruni, Rosaria Mancinelli, Maria A. Ricci;
J. Chem. Phys. 134 (2011) 024515.
 doi:10.1063/1.3528000,  Article

Different freezing behaviour of millimetre- and micrometer-scaled (NH₄)₂SO₄/H₂O droplets.
Anatoli Bogdan, Mario J. Molina, Heikki Tenhu, Erwin Mayer, Erminald Bertel, Thomas Loerting;
J. Phys.: Condens. Matter 23 (2011) 035103.
 doi:10.1088/0953-8984/23/3/035103,  Article,  LabTalk-article (research highlight)

Pressure-amorphized cubic structure II clathrate hydrate: crystallization in slow motion.
Marion Bauer, Daniel M. Többens, Erwin Mayer, Thomas Loerting;
Phys. Chem. Chem. Phys. 13 (2011) 2167–2171.
 doi:10.1039/c0cp01351j,  Article

Spectroscopic observation of matrix-isolated carbonic acid trapped from the gas phase.
Juergen Bernard, Markus Seidl, Ingrid Kohl, Klaus R. Liedl, Erwin Mayer, Óscar Gálvez, Hinrich Grothe, Thomas Loerting;
Angew. Chem. Int. Ed. 50 (2011) 1939–1943.
 doi:10.1002/anie.201004729,  Article,  Supporting Information,  Back Cover

Spektroskopische Beobachtung von matrixisolierter Kohlensäure, abgeschieden aus der Gasphase.
Juergen Bernard, Markus Seidl, Ingrid Kohl, Klaus R. Liedl, Erwin Mayer, Óscar Gálvez, Hinrich Grothe, Thomas Loerting;
Angew. Chem. 123 (2011) 1981–1985.
 doi:10.1002/ange.201004729,  Article,  Supporting Information,  Rücktitelbild

Scientific coverage:  Science,  Wiley Presse-Mitteilung,  APA-Aussendung,  iPoint – Universität Innsbruck

The many faces of "evidence" for dependent and independent variables in the 'Stewart approach': reply to Lang.
Daniel Doberer, Thomas Loerting, Karl Kirchner, Georg-Christian Funk;
Intensive Care Med 36 (2010) 1626–1627.
 doi:10.1007/s00134-010-1899-0,  Article

Aqueous carbonic acid (H₂CO₃).
Thomas Loerting, Juergen Bernard;
ChemPhysChem 11 (2010) 2305–2309.
 doi:10.1002/cphc.201000220,  Article

Formation of mixed-phase particles during freezing of polar stratospheric ice clouds.
Anatoli Bogdan, Mario J. Molina, Heikki Tenhu, Erwin Mayer, Thomas Loerting;
Nature Chem. 2 (2010) 197–201.
 doi:10.1038/nchem.540,  Article

Scientific coverage:  iPoint – Universität Innsbruck,  AlphaGalileo

Reversibility and isotope effect of the calorimetric glass → liquid transition of low-density amorphous ice.
Michael S. Elsaesser, Katrin Winkel, Erwin Mayer, Thomas Loerting;
Phys. Chem. Chem. Phys. 12 (2010) 708–712.
 doi:10.1039/b917662d,  Article

Hexagonal ice transforms at high pressures and compression rates directly into "doubly metastable" ice phases.
Marion Bauer, Katrin Winkel, Daniel M. Toebbens, Erwin Mayer, Thomas Loerting;
J. Chem. Phys. 131 (2009) 224514.
 doi:10.1063/1.3271651,  Article,  Supporting Information,  Research Highlight at JCP online

High-density amorphous ice: molecular dynamics simulations of the glass transition at 0.3 GPa.
Markus Seidl, Thomas Loerting, Gerhard Zifferer;
J. Chem. Phys. 131 (2009) 114502.
 doi:10.1063/1.3224857,  Article

Molecular dynamics simulations on the glass-to-liquid transition in high density amorphous ice.
Markus Seidl, Thomas Loerting, Gerhard Zifferer;
 Z. Phys. Chem. 223 (2009) 1047–1062; Special issue dedicated to Prof. Alfons Geiger on the occasion of his 65^th birthday.
 doi:10.1524/zpch.2009.6057,  Article

Relaxation effects in low density amorphous ice: two distinct structural states observed by neutron diffraction.
Katrin Winkel, Daniel T. Bowron, Thomas Loerting, Erwin Mayer, John L. Finney;
J. Chem. Phys. 130 (2009) 204502.
 doi:10.1063/1.3139007,  Article,  Research Highlight at JCP online,  JCP Editors' Choice

Relaxation effects in low density amorphous ice: two distinct structural states observed by neutron diffraction.
Katrin Winkel, Daniel T. Bowron, Thomas Loerting, Erwin Mayer, John L. Finney;
Virt. J. Biol. Phys. Res. 17 (2009), June 1.

Raman spectroscopic study of the phase transition of amorphous to crystalline β-carbonic acid.
Ingrid Kohl, Katrin Winkel, Marion Bauer, Klaus R. Liedl, Thomas Loerting, Erwin Mayer;
Angew. Chem. Int. Ed. 48 (2009) 2690–2694.
 doi:10.1002/anie.200805300,  Article,  Supporting Information,  Frontispiece of Communications articles

Raman-spektroskopische Studie der Phasenumwandlung von amorpher in kristalline β-Kohlensäure.
Ingrid Kohl, Katrin Winkel, Marion Bauer, Klaus R. Liedl, Thomas Loerting, Erwin Mayer;
Angew. Chem. 121 (2009) 2728–2732.
 doi:10.1002/ange.200805300,  Article,  Supporting Information,  Frontispiz der Zuschriften-Artikel

Multiple amorphous-amorphous transitions.
Thomas Loerting, Vadim V. Brazhkin, Tetsuya Morishita;
In: Stuart A. Rice (Ed.), Advances in Chemical Physics: Volume 143. John Wiley & Sons 2009, 29–82.
 doi:10.1002/9780470508602.ch2,  Article

Structural transitions in amorphous H₂O and D₂O: the effect of temperature.
Katrin Winkel, Marion Bauer, Erwin Mayer, Markus Seidl, Michael S. Elsaesser, Thomas Loerting;
J. Phys.: Condens. Matter 20 (2008) 494212.
 doi:10.1088/0953-8984/20/49/494212,  Article

Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO).
Gerhard Laus, Volker Kahlenberg, Klaus Wurst, Thomas Loerting, Herwig Schottenberger;
CrystEngComm 10 (2008) 1638–1644.
 doi:10.1039/b807303a,  Article

Compression-rate dependence of the phase transition from hexagonal ice to ice II and/or ice III.
Marion Bauer, Michael S. Elsaesser, Katrin Winkel, Erwin Mayer, Thomas Loerting;
Phys. Rev. B 77 (2008) 220105.
 doi:10.1103/PhysRevB.77.220105,  Article

Water polyamorphism: reversibility and (dis)continuity.
Katrin Winkel, Michael S. Elsaesser, Erwin Mayer, Thomas Loerting;
J. Chem. Phys. 128 (2008) 044510.
 doi:10.1063/1.2830029,  Article

Die Schmelzkurve von Eis III – Hinweis auf anomales Druckverhalten von Wasser.
Peter W. Mirwald, Thomas Loerting;
Mitt. Öst. Mineralog. Ges. 153 (2007) 79.
 Article

Chemisorption of hydrogen on the missing-row Pt(110)-(1x2) surface.
M. Minca, S. Penner, T. Loerting, A. Menzel, E. Bertel, R. Zucca, J. Redinger;
Topics in Catalysis 46 (2007) 161–167.
 doi:10.1007/s11244-007-0326-4,  Article

N,N'-di(alkyloxy)imidazolium salts: new patent-free ionic liquids and NHC precatalysts.
Gerhard Laus, Alexander Schwaerzler, Philipp Schuster, Gino Bentivoglio, Michael Hummel, Klaus Wurst, Volker Kahlenberg, Thomas Loerting, Johannes Schuetz, Paul Peringer, Günther Bonn, Gerhard Nauer, Herwig Schottenberger;
Z. Naturforsch. B 62 (2007) 295–308.
 Article

Fluctuations and phase separation in Br/Pt(110).
Enrico Dona, Thomas Loerting, Simon Penner, Mariana Minca, Alexander Menzel, Erminald Bertel, Johannes Schoiswohl, Steven Berkebile, Falko P. Netzer, Rinaldo Zucca, Joser Redinger;
 Surf. Sci. 601 (2007) 4386–4389.
 doi:10.1016/j.susc.2007.04.126,  Article

Fluctuations and phase separation in a quasi-one-dimensional system.
Enrico Dona, Thomas Loerting, Simon Penner, Mariana Minca, Alexander Menzel, Erminald Bertel, Johannes Schoiswohl, Steven Berkebile, Falko P. Netzer, Rinaldo Zucca, Joser Redinger;
Phys. Rev. Lett. 98 (2007) 186101.
 doi:10.1103/PhysRevLett.98.186101,  Article

Carbonic acid: from polyamorphism to polymorphism.
Katrin Winkel, Wolfgang Hage, Thomas Loerting, Sarah L. Price, Erwin Mayer;
J. Am. Chem. Soc. 129 (2007) 13863–13871.
 doi:10.1021/ja073594f,  Article

Verfahren zur Herstellung von Eis-Kristallen in einem Düsenstrahl; Device and method for machining a solid material using a high pressure water jet.
Thomas Loerting, Erminald Bertel;
Austrian patent pending AT 2006–1066 A 20060623 (2007), PCT patent pending WO 2007-AT307 (2008).

Verfahren zur Herstellung einer Eisfläche für Eissportbahnen; Method for the production of an ice surface for ice rinks.
Thomas Loerting;
Austrian patent AT 2006–1067 A 20060623 (2007), PCT patent pending WO 2007-AT298 (2008).

The interaction of hydrogen chloride with ice surfaces: the effects of grain size, surface roughness, and surface disorder.
Vivian F. McNeill, Thomas Loerting, Franz M. Geiger, Bernhardt L. Trout, Luisa T. Molina, Mario J. Molina;
J. Phys. Chem. A 111 (2007) 6274–6284.
 doi:10.1021/jp068914g,  Article

Novel method to detect the volumetric glass → liquid transition at high pressures: glycerol as a test case.
Michael S. Elsaesser, Ingrid Kohl, Erwin Mayer, Thomas Loerting;
J. Phys. Chem. B 111 (2007) 8038–8044.
 doi:10.1021/jp0708897,  Article

Isothermal amorphous-amorphous-amorphous transitions in water.
Katrin Winkel, Werner Schustereder, Ingrid Kohl, Christoph G. Salzmann, Erwin Mayer, Thomas Loerting;
In: Werner F. Kuhs (Ed.), Physics and Chemistry of Ice. Cambridge: The Royal Society of Chemistry 2007, 641–648.
 Article

The local and intermediate range structures of the five amorphous ices at 80 K and ambient pressure: a Faber-Ziman and Bhatia-Thornton analysis.
Daniel T. Bowron, John L. Finney, Ingrid Kohl, Thomas Loerting, Andreas Hallbrucker, Erwin Mayer, Alan K. Soper;
J. Chem. Phys. 125 (2006) 194502.
 doi:10.1063/1.2378921,  Article

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.
 doi:10.1039/b603159e,  Article,  Cover

Amorphous ice: experiments and numerical simulation.
Thomas Loerting, Nicolas Giovambattista;
J. Phys.: Condens. Matter 18 (2006) R919–R977; invited review.
 doi:10.1088/0953-8984/18/50/R01,  Article

Hydrogen chloride-induced surface disordering on ice.
Vivian F. McNeill, Thomas Loerting, Franz M. Geiger, Bernhardt L. Trout, Mario J. Molina;
Proc. Natl. Acad. Sci. U.S.A. 103 (2006) 9422–9427; From the Cover Article.
 doi:10.1073/pnas.0603494103,  Article

High density amorphous ice from cubic ice.
Thomas Loerting, Ingrid Kohl, Werner Schustereder, Katrin Winkel, Erwin Mayer;
ChemPhysChem 7 (2006) 1203–1206; front cover article.
 doi:10.1002/cphc.200600011,  Article,  Cover

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.
 doi:10.1029/2006JD007065,  Article

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.
 doi:10.1103/PhysRevLett.96.025702,  Article

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.
 doi:10.1039/b510168a,  Article

Water behaviour: glass transition in hyperquenched water?
Ingrid Kohl, Luis Bachmann, Erwin Mayer, Andreas Hallbrucker, Thomas Loerting;
 Nature 435 (2005) E1.
 doi:10.1038/nature03707,  Article

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.
 doi:10.1039/b507651j,  Article,  Cover (Cover of the Year)

Correlation in low-dimensional electronic states on metal surfaces.
A. Menzel, Zh. Zhang, M. Minca, T. Loerting, C. Deisl, E. Bertel;
New J. Phys. 7 (2005) 102.
 doi:10.1088/1367-2630/7/1/102,  Article

H on Pt(110): an atypical chemisorption site at low coverages.
Z. Zhang, M. Minca, C. Deisl, T. Loerting, A. Menzel, E. Bertel, R. Zucca, J. Redinger;
Phys. Rev. B 70 (2004) 121401.
 doi:10.1103/PhysRevB.70.121401,  Article

Sulfurous acid (H₂SO₃) on Io?
Andreas F. Voegele, Thomas Loerting, Christofer S. Tautermann, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl;
 Icarus 169 (2004) 242–249.
 doi:10.1016/j.icarus.2003.11.012,  Article

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.
 doi:10.1021/jp0377578,  Article

Dynamics of DNA: B_I and B_II phosphate backbone transitions.
Michael Trieb, Christine Rauch, Bernd Wellenzohn, Fajar Wibowo, Thomas Loerting, Klaus R. Liedl;
J. Phys. Chem. B 108 (2004) 2470–2476.
 doi:10.1021/jp037079p,  Article,  Author Correction

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.
 doi:10.1080/07391102.2004.10506961,  Article

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.
 doi:10.1039/b305624d,  Article,  Author Correction

Reactions of HOBr + HCl + nH₂O and HOBr + HBr + nH₂O.
Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, Klaus R. Liedl;
 Chem. Phys. Lett. 372 (2003) 569–576.
 doi:10.1016/S0009-2614(03)00447-0,  Article

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.
 doi:10.1021/ic025967d,  Article

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.
 doi:10.1021/jp021534k,  Article

Pure 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.
 doi:10.1139/P02-071,  Article

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.
 doi:10.1002/jcc.10185,  Article

Toward elimination of discrepancies between theory and experiment: the gas-phase reaction of N₂O₅ with H₂O.
Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, Klaus R. Liedl;
Phys. Chem. Chem. Phys. 5 (2003) 487–495.
 doi:10.1039/b208936j,  Article

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.
 doi:10.1039/b108676f,  Article

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 8 (2001) 459–467.
 doi:10.1039/b008788m,  Article

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.
 doi:10.1021/jp0038862,  Article

The reaction rate constant of chlorine nitrate hydrolysis.
Thomas Loerting, Klaus R. Liedl;
Chem. Eur. J. 7 (2001) 1662–1669.
 doi:10.1002/1521-3765(20010417)7:8<1662::AID-CHEM16620>3.0.CO;2-P,  Article

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.
 Article

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.
 doi:10.1021/jp9914774,  Article