| 209. |
The inexhaustible teaching potential of the transesterification reaction: the kinetics of the production of biodiesel for undergraduate students |
| 208. |
Near-Infrared Spectroscopic Sensing of Hydrogen Order in ice XIII |
| 207. |
In Spite of the Chemist’s Belief: Metastable Hydrates of CsCl |
| 206. |
Acidity and Phase Behavior of Frozen Hydrochloric Acid during Thawing; |
| 205. |
How Vibrational Notations Can Spoil Infrared Spectroscopy: A Case Study on Isolated Methanol; |
| 204. |
Kinetic isotope effects on hydrogen/deuterium disordering and ordering in ice crystals: A Raman and dielectric study of ice VI, XV, and XIX |
| 203. |
Near-infrared spectroscopy for remote sensing of porosity, density and cubicity of crystalline and amorphous H2O ices in astrophysical environment |
| 202. |
Configurational entropy of ice XIX and its isotope effect |
| 201. |
Solving the puzzle of the carbonic acid
vibrational spectrum - An anharmonic story |
| 200. |
The Impact of Alcohol and Ammonium Fluoride on Pressure-Induced Amorphization of Cubic Structure I Clathrate Hydrates |
| 199. |
Isocompositional liquid-liquid transition in dilute aqueous LiCl
solutions |
| 198. |
Tuning the low-temperature phase behavior of aqueous ionic liquids |
| 197. |
Thermodynamically Stable Intermediate in the Course of Hydrogen Ordering from Ice V to Ice XIII |
| 196. |
Strategies to obtain highly ordered deuterated ices presented on the example of ice XIV |
| 195. |
Enhanced Electrochemical Performance of NTP/C with Rutile TiO2 Coating, as Anode Material for Sodium-Ion Batteries |
| 194. |
Investigating Freezing-Induced Acidity Changes in Citrate Buffers |
| 193. |
A laboratory-based multifunctional near ambient pressure X-ray photoelectron spectroscopy system for electrochemical, catalytic, and cryogenic studies |
| 192. |
Neutron scattering study of polyamorphic ·17(H2O) - toward a generalized picture of amorphous states and structures derived from clathrate hydrates |
| 191. |
Enthalpy Change from Pure Cubic Ice Ic to Hexagonal Ice Ih |
| 190. |
Distinguishing the glass, crystal, and quasi-liquid layer in 1-methylnaphthalene by using fluorescence signatures |
| 189. |
Nucleation and growth of crystalline ices from amorphous ices |
| 188. |
Glass polymorphism in hyperquenched aqueous LiCl solutions |
| 187. |
Raman marker bands for secondary structure changes of frozen therapeutic monoclonal antibody formulations during thawing |
| 186. |
Sodium-Containing Surface Film Formation on PlanarMetal-Oxide Electrodes with Potential Application forSodium-Ion and Sodium-Oxygen Batteries |
| 185. |
Infrared Spectroscopy on Equilibrated High-Density Amorphous Ice |
| 184. |
Chapter 5: How Many Crystalline Ices are There? |
| 183. |
Pressure-annealed high-density amorphous ice made from vitrified water droplets: A systematic calorimetry study on water's second glass transition |
| 182. |
Isotope effects on the dynamics of amorphous ices and aqueous phosphoric acid solutions |
| 181. |
Increase of radiative forcing through mid-IR absorption by stable COc2 dimers? |
| 180. |
Raman Spectroscopy Study of the Slow Order-Order Transformation of Deuterium Atoms: Ice XIX Decay and Ice XV Formation |
| 179. |
Oxygen NMR of high-density and low-density amorphous ice |
| 178. |
The impact of temperature and unwanted impurities on slow compression of ice |
| 177. |
Substrate Dependent Charge Transfer Kinetics at the Solid/Liquid Interface of Carbon-Based Electrodes with Potential Application for Organic Na-Ion Batteries. |
| 176. |
Advances in the study of supercooled water |
| 175. |
Calorimetric Investigation of Hydrogen-Atom Sublattice Transitions in the Ice VI/XV/XIX Trio. |
| 174. |
Experimental evidence for glass polymorphism in vitrified water droplets. Scientific coverage:
|
| 173. |
Optical cryomicroscopy and differential scanning calorimetry of buffer solutions containing cryoprotectants. |
| 172. |
Structural characterization of ice XIX as the second polymorph related to ice VI. Scientific coverage:
|
| 171. |
Near Infrared Spectra of High-Density Crystalline H2O Ices II, IV, V, VI, IX & XII. |
| 170. |
Absence of the liquid-liquid phase transition in aqueous ionic liquids. |
| 169. |
Using Excimeric Fluorescence to Study How the Cooling Rate Determines the Behavior of Naphthalenes in Freeze-Concentrated Solutions: Vitrification and Crystallization. |
| 168. |
On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations. |
| 167. |
Nanoscale structure of amorphous solid water: What determines the porosity in ASW? |
| 166. |
Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm. |
| 165. |
Open questions on the structure of crystalline water ices. |
| 164. |
Decomposing anharmonicity and mode-coupling from matrix effects in the IR spectra of matrix-isolated carbon dioxide and methane. |
| 163. |
Co-deposition of gas hydrates by pressurized thermal evaporation. |
| 162. |
The interplay of VSCF/VCI calculations and matrix-isolation IR spectroscopy – Mid infrared spectrum of CH3CH2F and CD3CD2F. |
| 161. |
Alpha carbonic acid revisited: Carbonic acid monomethyl ester as a solid and its conformational isomerism in the gas phase. |
| 160. |
Supercooled water: A polymorphic liquid with a cornucopia of behaviors. |
| 159. |
Toward Elimination of Discrepancies Between Theory and Experiment: Anharmonic Rotational-Vibrational Spectrum of Water in Solid Noble Gas Matrices. |
| 158. |
Glass transition of LiCl aqueous solutions confined in mesoporous silica. |
| 157. |
Glass polymorphism and liquid–liquid phase transition in aqueous solutions: experiments and computer simulations. |
| 156. |
Distinguishing Ice β-XV from Deep Glassy Ice VI: Raman Spectroscopy. |
| 155. |
Amorphous and crystalline ices studied by dielectric spectroscopy. |
| 154. |
Vitrification and Increase of Basicity in between Ice Ih Crystals in Rapidly Frozen Dilute NaCl Aqueous Solutions. |
| 153. |
Structural differences between unannealed and expanded high-density amorphous ice based on isotope substitution neutron diffraction. |
| 152. |
Evidence for high-density liquid water between 0.1 and 0.3 GPa near 150 K. Scientific coverage:
|
| 151. |
Macroscopic Defects upon Decomposition of CO2 Clathrate Hydrate Crystals. |
| 150. |
Nature of water's second glass transition elucidated by doping and isotope substitution experiments. |
| 149. |
Distribution of Protein Content and Number of Aggregates in Monoclonal Antibody Formulation After Large-Scale Freezing. |
| 148. |
Thermodynamic and kinetic isotope effects on the order-disorder transition of ice XIV to ice XII. |
| 147. |
Distinct Speciation of Naphthalene Vapor Deposited on Ice Surfaces at 253 or 77 K: Formation of Submicrometer Sized Crystals or an Amorphous Layer. |
| 146. |
Dynamic signatures of the transition from stacking disordered to hexagonal ice: Dielectric and nuclear magnetic resonance studies. |
| 145. |
On the crystallisation temperature of very high-density amorphous ice. |
| 144. |
Experiments indicating a second hydrogen ordered phase of ice VI. Scientific coverage: |
| 143. |
Impact Of Buffer, Protein Concentration And Sucrose Addition On The Aggregation And Particle Formation During Freezing And Thawing. |
| 142. |
Experimental Study of the Polyamorphism of Water: II. The Isobaric Transitions Between HDA and VHDA at Intermediate and High Pressures. |
| 141. |
Experimental Study of the Polyamorphism of Water: I. The Isobaric Transitions from Amorphous Ices to LDA at 4 MPa. |
| 140. |
Calorimetric study of water's two glass transitions in the presence of LiCl. |
| 139. |
High-density amorphous ice: nucleation of nanosized low-density amorphous ice. |
| 138. |
Supercooled and Glassy Water: metastable liquid(s), amorphous solid(s) and a no-man's land. |
| 137. |
Formation and Decomposition of CO2-Filled Ice. |
| 136. |
Balance between hydration enthalpy and entropy is important for ice binding surfaces in Antifreeze Proteins. |
| 135. |
Genuine antiplasticizing effect of water on a glass-former drug. |
| 134. |
Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects. |
| 133. |
Diffusive dynamics during the high-to-low density transition in amorphous ice. Scientific coverage: |
| 132. |
Crystallisation of the amorphous ices in the intermediate pressure regime. |
| 131. |
Carbonic acid monoethyl ester as a pure solid and its conformational isomerism in the gas-phase. |
| 130. |
Does the emulsification procedure influence freezing and thawing of aqueous droplets? |
| 129. |
Doping-enhanced dipolar dynamics in ice V as a precursor of hydrogen ordering in ice XIII. |
| 128. |
Micro-tomographic investigation of ice and clathrate formation and decomposition under thermodynamic monitoring. |
| 127. |
Water: a Tale of Two Liquids. |
| 126. |
X-ray and Neutron Scattering of Water. |
| 125. |
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. |
| 124. |
Neutron scattering analysis of water's glass transition and micropore collapse in amorphous solid water. Scientific coverage:
|
| 123. |
Glass polymorphism in glycerol-water mixtures: I. A computer simulation study. |
| 122. |
Glass polymorphism in glycerol-water mixtures: II. Experimental studies. |
| 121. |
Dynamics anomaly in high-density amorphous ice between 0.7 and 1.1 GPa. |
| 120. |
Chapter 3: Solids and fluids at low temperatures. |
| 119. |
Colloquium: water's controversial glass transitions. |
| 118. |
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). |
| 117. |
Anomalous behavior of the homogeneous ice nucleation rate in "no-man's land". |
| 116. |
Dynamics enhanced by HCl doping triggers 60% Pauling entropy release at the ice XII–XIV transition. |
| 115. |
Vibrational study of anharmonicity, supramolecular structure, and hydrogen bonding in two octanol isomers. |
| 114. |
Crystalline and amorphous ices. |
| 113. |
Tomography based numerical simulation of the demagnetizing field in soft magnetic composites. |
| 112. |
Ice nucleation by water-soluble macromolecules. |
| 111. |
Shrinking water's no man's land by lifting its low-temperature boundary. |
| 110. |
Temperature induced amorphisation of hexagonal ice. |
| 109. |
Multiple glass transitions and freezing events of aqueous citric acid. |
| 108. |
The glass transition in high-density amorphous ice. |
| 107. |
Visualization of freezing process in situ upon cooling and warming of aqueous solutions. |
| 106. |
Anomalously large isotope effect in the glass transition of water. Scientific coverage: |
| 105. |
Phase separation during freezing upon warming of aqueous solutions. |
| 104. |
Ice nucleation by water-soluble macromolecules. |
| 103. |
Pressure-induced transformations in LiCl–H2O at 77 K. |
| 102. |
Small-angle neutron scattering study of micropore collapse in amorphous solid water. |
| 101. |
Proton ordering of cubic ice Ic: spectroscopy and computer simulations. |
| 100. |
Simulation of high-density water: its glass transition for various water models. |
| 99. |
Cordierite under hydrostatic compression: anomalous elastic behavior as a precursor for a pressure-induced phase transition. |
| 98. |
From parallel to single crystallization kinetics in high-density amorphous ice. |
| 97. |
Water's second glass transition. Scientific coverage: |
| 96. |
Comment on "Experimental evidence for excess entropy discontinuities in glass-forming solutions" [J. Chem. Phys. 136, 074515 (2012)]. |
| 95. |
Matrix isolation studies of carbonic acid – the vapour phase above the β-polymorph. |
| 94. |
Solution coating around ice particles of incipient cirrus clouds. |
| 93. |
Amorphous ices. |
| 92. |
Ultra-slow dynamics in low density amorphous ice revealed by deuteron NMR: indications for a glass transition. |
| 91. |
Limits of metastability in amorphous ices: 2H-NMR relaxation. |
| 90. |
Limits of metastability in amorphous ices: the neutron scattering Debye-Waller factor. |
| 89. |
Formation and stability of bulk carbonic acid (H2CO3) by protonation of tropospheric calcite. |
| 88. |
Relaxation time of high-density amorphous ice. Scientific coverage: |
| 87. |
Interplay of the glass transition and the liquid-liquid phase transition in water. |
| 86. |
Ferroelectric transition vanishes in (NH4)2SO4 precipitated in small-sized aqueous droplets. |
| 85. |
Local structural order in carbonic acid polymorphs: Raman and FT-IR spectroscopy. |
| 84. |
Note: Molecular dynamics studies of high-density amorphous ice: Influence of long-range Coulomb interactions. |
| 83. |
Clathrate hydrate formation after CO2–H2O vapour deposition. |
| 82. |
Cryoflotation: densities of amorphous and crystalline ices. |
| 81. |
Single freezing and triple melting of micrometer-scaled (NH4)2SO4/H2O droplets. |
| 80. |
Equilibrated high-density amorphous ice and its first-order transition to the low-density form. |
| 79. |
Comment on Y. Yoshimura: "Pressure-induced phase transition of ice in aqueous KOH solution" |
| 78. |
Impact of substrate, aging, and size on the two freezing events of (NH4)2SO4/H2O droplets. |
| 77. |
How many amorphous ices are there? |
| 76. |
Volumetric study consistent with a glass-to-liquid transition in amorphous ices under pressure. |
| 75. |
Structural study of low concentration LiCl aqueous solutions in the liquid, supercooled, and hyperquenched glassy states. |
| 74. |
Different freezing behaviour of millimetre- and micrometer-scaled (NH4)2SO4/H2O droplets. |
| 73. |
Pressure-amorphized cubic structure II clathrate hydrate: crystallization in slow motion. |
| 72. |
Spectroscopic observation of matrix-isolated carbonic acid trapped from the gas phase. Spektroskopische Beobachtung von matrixisolierter Kohlensäure, abgeschieden aus der Gasphase. Scientific coverage: |
| 71. |
The many faces of "evidence" for dependent and independent variables in the 'Stewart approach': reply to Lang. |
| 70. |
Aqueous carbonic acid (H2CO3). |
| 69. |
Formation of mixed-phase particles during freezing of polar stratospheric ice clouds. Scientific coverage: |
| 68. |
Reversibility and isotope effect of the calorimetric glass → liquid transition of low-density amorphous ice. |
| 67. |
Hexagonal ice transforms at high pressures and compression rates directly into "doubly metastable" ice phases. |
| 66. |
High-density amorphous ice: molecular dynamics simulations of the glass transition at 0.3 GPa. |
| 65. |
Molecular dynamics simulations on the glass-to-liquid transition in high density amorphous ice. |
| 64. |
Relaxation effects in low density amorphous ice: two distinct structural states observed by neutron diffraction. Relaxation effects in low density amorphous ice: two distinct structural states observed by neutron diffraction. |
| 63. |
Raman spectroscopic study of the phase transition of amorphous to crystalline β-carbonic acid. Raman-spektroskopische Studie der Phasenumwandlung von amorpher in kristalline β-Kohlensäure. |
| 62. |
Multiple amorphous-amorphous transitions. |
| 61. |
Structural transitions in amorphous H2O and D2O: the effect of temperature. |
| 60. |
Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO). |
| 59. |
Compression-rate dependence of the phase transition from hexagonal ice to ice II and/or ice III. |
| 58. |
Water polyamorphism: reversibility and (dis)continuity. |
| 57. |
Die Schmelzkurve von Eis III – Hinweis auf anomales Druckverhalten von Wasser. |
| 56. |
Chemisorption of hydrogen on the missing-row Pt(110)-(1x2) surface. |
| 55. |
N,N'-di(alkyloxy)imidazolium salts: new patent-free ionic liquids and NHC precatalysts. |
| 54. |
Fluctuations and phase separation in Br/Pt(110). |
| 53. |
Fluctuations and phase separation in a quasi-one-dimensional system. |
| 52. |
Carbonic acid: from polyamorphism to polymorphism. |
| 51. |
Verfahren zur Herstellung von Eis-Kristallen in einem Düsenstrahl; Device and method for machining a solid material using a high pressure water jet. |
| 50. |
Verfahren zur Herstellung einer Eisfläche für Eissportbahnen; Method for the production of an ice surface for ice rinks. |
| 49. |
The interaction of hydrogen chloride with ice surfaces: the effects of grain size, surface roughness, and surface disorder. |
| 48. |
Novel method to detect the volumetric glass → liquid transition at high pressures: glycerol as a test case. |
| 47. |
Isothermal amorphous-amorphous-amorphous transitions in water. |
| 46. |
The local and intermediate range structures of the five amorphous ices at 80 K and ambient pressure: a Faber-Ziman and Bhatia-Thornton analysis. |
| 45. |
The relation between high-density and very-high-density amorphous ice. |
| 44. |
Amorphous ice: experiments and numerical simulation. |
| 43. |
Hydrogen chloride-induced surface disordering on ice. |
| 42. |
High density amorphous ice from cubic ice. |
| 41. |
Modeling the heterogeneous reaction probability for chlorine nitrate hydrolysis on ice. |
| 40. |
Amorphous ice: stepwise formation of very-high-density amorphous ice from low-density amorphous ice at 125 K. |
| 39. |
Isobaric annealing of high-density amorphous ice between 0.3 and 1.9 GPa: in situ density values and structural changes. |
| 38. |
Water behaviour: glass transition in hyperquenched water? |
| 37. |
Liquid-like relaxation in hyperquenched water at < 140 K. |
| 36. |
Correlation in low-dimensional electronic states on metal surfaces. |
| 35. |
H on Pt(110): an atypical chemisorption site at low coverages. |
| 34. |
Sulfurous acid (H2SO3) on Io? |
| 33. |
On the formation of the sulfonate ion from hydrated sulfur dioxide. |
| 32. |
Dynamics of DNA: BI and BII phosphate backbone transitions. |
| 31. |
Daunomycin intercalation stabilizes distinct backbone conformations of DNA. |
| 30. |
The low-temperature dynamics of recovered ice XII as studied by differential scanning calorimetry: a comparison with ice V. |
| 29. |
Reactions of HOBr + HCl + nH2O and HOBr + HBr + nH2O. |
| 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. |
| 27. |
Raman spectroscopic study on hydrogen bonding in recovered Ice IV. |
| 26. |
Pure ices IV and XII from high-density amorphous ice. |
| 25. |
Extended method for adiabatic mode reordering. |
| 24. |
Toward elimination of discrepancies between theory and experiment: the gas-phase reaction of N2O5 with H2O. |
| 23. |
About the stability of sulfurous acid (H2SO3) and its dimer. |
| 22. |
Structure of a new dense amorphous ice. |
| 21. |
The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphtalenes. |
| 20. |
Reactions of HOCl + HCl + nH2O and HOCl + HBr + nH2O. |
| 19. |
The optimal tunneling path for the proton transfer in malonaldehyde. |
| 18. |
An accurate semiclassical method to predict ground-state tunneling splittings. |
| 17. |
High-density amorphous ice and its phase transformation to ice XII. |
| 16. |
Pure ice IV from high-density amorphous ice. |
| 15. |
(Meta-)stability domain of ice XII revealed between ~158–212 K and ~0.7–1.5 GPa on isobaric heating of high-density amorphous ice. |
| 14. |
The Raman spectrum of ice XII and its relation to that of a new "high-pressure phase of H2O ice". |
| 13. |
Towards the experimental decomposition rate of carbonic acid (H2CO3) in aqueous solution. |
| 12. |
A second distinct structural "state" of high-density amorphous ice at 77 K and 1 bar. |
| 11. |
The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes. |
| 10. |
Water-mediated proton transfer: a mechanistic investigation on the example of the hydration of sulfur oxides. |
| 9. |
The reaction rate constant of chlorine nitrate hydrolysis. |
| 8. |
Prediction of the structure of human Janus kinase 2 (JAK2) comprising the two carboxy-terminal domains reveals a mechanism for autoregulation. |
| 7. |
Toward elimination of discrepancies between theory and experiment: the rate constant of the atmospheric conversion of SO3 to H2SO4. |
| 6. |
On the competing hydrations of sulfur dioxide and sulfur trioxide in our atmosphere. |
| 5. |
On the surprising kinetic stability of carbonic acid (H2CO3). Zur überraschenden kinetischen Stabilität von Kohlensäure (H2CO3). Scientific coverage: |
| 4. |
Temperature-dependent ways of proton transfer – a benchmark study on cyclic HF oligomers. |
| 3. |
Toward elimination of discrepancies between theory and experiment: double proton transfer in dimers of carboxylic acids. |
| 2. |
Predictions of rate constants and estimates for tunneling splittings of concerted proton transfer in small cyclic water clusters. |
| 1. |
Large curvature tunneling effects reveal concerted hydrogen exchange rates in cyclic hydrogen fluoride clusters comparable to carboxylic acid dimers. |
Disordered water at low temperatures.
Habilitationsschrift vorgelegt von Thomas Loerting am Institut für Physikalische Chemie an der Leopold-Franzens-Universität Innsbruck (2007).
Kinetics of water mediated proton transfer in the atmosphere.
Dissertation handed in by Thomas Loerting for the obtainment of the PhD degree at Leopold-Franzens-Universität Innsbruck (2000). 
download (PDF, 7 MB)
Beschreibung des konzertierten intramolekularen Austausches von Wasserstoffatomen in zyklischen Molekülen im Zuge der Theorie des aktivierten Komplexes.
Diplomarbeit eingereicht von Thomas Loerting zur Erlangung des Grades eines Magisters der Naturwissenschaften an der Leopold-Franzens-Universität Innsbruck (1997). download (PDF, 0.5 MB)
| 13. |
Understanding Carbonic Acid Vibrations |
| 12. |
Water under extreme Conditions |
| 11. |
Wasser: 1 Molekül, 2 Flüssigkeiten, 23 Festkörper |
| 10. |
Wasser in der Erde und in kosmischen Eiswelten |
| 9. |
Glassy Nuclei in Amorpous Ice - Novel Evidence for the Two-Liquids Nature of Water. |
| 8. |
Herantasten an die Phasentrennung. |
7. |
High-performance dilatometry under extreme conditions. |
| 6. |
Eine Substanz, zwei Flüssigkeiten. |
| 5. |
Kohlensäure – es gibt sie doch. |
| 4. |
Komplexität und scheinbare Emergenz – Wissenschaftstheoretische Überlegungen in naturwissenschaftlichem Kontext. |
| 3. |
Gefangene Kohlensäure. |
| 2. |
Preventing or curing climate change? |
| 1. |
Amorphes festes Wasser unter hohem Druck. |
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