Proton Transfer and the Hydrogen Bond | |
Transfers of Protons as a Third Fundamental Property of H-Bonds Importance of Cooperative Resononce Type in Cyclic Structures | p. 1 |
Proton Transport in Condensed Matter | p. 17 |
Extraction of the Principles of Proton Transfers by Ab Initio Methods | p. 29 |
Construction of the Model Strong Hydrogen Bond Potential Energy Surface and Proton Transfer Dynamics | p. 49 |
Proton Transfer and Soliton Dynamics | |
Thermal Generation and Mobility of Charge Carriers in Collective Proton Transport in Hydrogen-Bonded Chains | p. 65 |
Soliton Modelling for Proton Transfer in Hydrogen-Bonded Systems | p. 79 |
Soliton Propagation Through Inhomogeneous Hydrogen-Bonded Chains | p. 95 |
The Concept of Soliton-Carrier Collective Variable For Proton Transfer in Extended Hydrogen-Bonded Systems: Overview | p. 105 |
Dynamics of Nonlinear Coherent Structures in a Hydrogen-Bonded Chain Model: The Role of Dipole - Dipole Interactions | p. 121 |
Thermally Excited Lattice Solitons | p. 131 |
Destruction of Solitons in Frenkel-Kontorova Models with Anharmonic Interactions | p. 139 |
Proton Transfer in Biochemistry and Biology | |
Proton Polarizability of Hydrogen Bonded Systems due to Collective Proton Motion-With a Remark to the Proton Pathways in Bacteriorhodopsin | p. 153 |
Percolation and Dissipative Quantum Tunneling of Protons in Hydrated Protein Powders | p. 167 |
Light-Triggered Opening and Closing of An Hydrophobic Gate Controls Vectorial Proton Transfer in Bacteriorhodopsin | p. 171 |
Proton Transfer in the Light-Harvesting Protein Bacteriorhodopsin. An Investigation with Optical pH-Indicators | p. 187 |
Diffusion of Protons in the Microscopic Space of the PhoE Channel | p. 199 |
Glass Transitions in Biological Systems | p. 207 |
Interaction Between Acetic Acid and Methylamine in Water. Molecular Dynamics and Ab Initio MO Studies | p. 217 |
Crystal of Adenine and Dissociated and Nondissociated Chloroacetic Acid-A Promising Model for the Study of Proton Transfer Phenomena | p. 229 |
Ab Initio HF SCF Calculation of the Effect of Protonation On Vibrational Spectra of Adenine | p. 233 |
Proton Transfer in Water and Ice Physics | |
Studies of the Nature of the Ordering Transformation in Ice Ih | p. 239 |
Defect Activity in Icy Solids from Isotopic Exchange Rates: Implications for Conductance and Phase Transitions | p. 249 |
Single-Molecule Dynamics and the "Optical Like" Collective Modes in Liquid Water | p. 261 |
Proton Transfer in Solutions | |
Free Energy Computer Simulations for the Study of Proton Transfer in Solutions | p. 273 |
A Kinetic Model for Proton Transfers in Solutions | p. 281 |
Raman Investigation of Proton Hydration and Structure In Concentrated Acqueous Hydrochloric Acid Solutions | p. 297 |
Proton Charge Transfer in a Polar Solvent | p. 313 |
General Methods and Models | |
A Density Functional Study of Hydrogen Bonds | p. 325 |
Theoretical Analysis of Isotopic Scrambling in Ion-Molecule Reactions Involving Proton Transfers | p. 343 |
Two-Sublattice Model of Hydrogen Bonding at Finite Temperatures | p. 351 |
Contributors | p. 357 |
Index | p. 363 |
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