Recent Theoretical and Experimental Advances in Hydrogen Bonded Clusters: Nato Science Series C:, cartea 561
Editat de S.S. Xantheasen Limba Engleză Hardback – 31 ian 2001
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Specificații
ISBN-13: 9780792367031
ISBN-10: 0792367030
Pagini: 430
Ilustrații: X, 430 p.
Dimensiuni: 156 x 234 x 25 mm
Greutate: 0.79 kg
Ediția:2001
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Nato Science Series C:
Locul publicării:Dordrecht, Netherlands
ISBN-10: 0792367030
Pagini: 430
Ilustrații: X, 430 p.
Dimensiuni: 156 x 234 x 25 mm
Greutate: 0.79 kg
Ediția:2001
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Nato Science Series C:
Locul publicării:Dordrecht, Netherlands
Public țintă
ResearchCuprins
The Hydrogen Bond.- Universal Models of Hydrogen Bonding.- Accurate Calculation of the Interaction Energies in Hydrogen-Bonded Complexes.- Computational Modeling of Hydrogen-Bonded Molecules. Considerations for Electronic Structure Calculations.- Additivity Rules for the ab initio Interaction Energy of a Cluster using the Results of Different Smaller Basis sets.- Preliminary Observations on the Dependence of Potential Energy Surfaces on Intramolecular Degrees of Freedom.- Size and Conformation-Selective Infrared Spectroscopy of Neutral Hydrogen-Bonded Clusters.- Far Infrared Laser VRT Spectroscopy of Water Clusters.- Structure, Spectra, and Thermodynamic Energies of the Water Dimer and Hexamer.- Cooperative Effects in Water Clusters.- Tunneling Motions and Spectra of Hydrogen bonded Complexes; The Ammonia Dimer and the Water Trimer.- Excited State Dynamic-Node Diffusion Monte Carlo Simulations.- Simulation of Water Clusters with Ridig-Body Diffusion Monte Carlo.- Rearrangements and Tunneling Splittings in small Water Clusters.- A Classical Mechanical Study of cis-trans Isomerization Reaction of (H2O)4 Cluster: An Example of non-Ergodic Behaviour.- Matrix Spectroscopy in Molecular Beams: A Vibrational Study of Hydrogen-Bonded Complexes Embedded in Rare Gas Host Clusters.- The Strengths and Weaknesses of Hydrogen Bonded Complexes.- High Resolution Inter- and Intramolecular Spectroscopy of Hydrogen-Bonded Clusters: Benchmark Tests of Theory.- Highly Resolved UV Spectroscopy: Structure and Dynamics of Hydrogen-Bonded Clusters by Correlation Automated Rotational Fitting.- Vibrational Spectroscopy of Methanol Molecules Adsorbed on Water Clusters.- Anharmonicity and Environmental Effects on Hydrogen-Bonded Clusters.- Black Body Fragmentation of Ionized Water Clusters and Hydrated Ions.- Excess Electron Clusters Composed of Polar, Hydrogen Bond-Forming Molecules: Negative Ion Photoelectron Spectroscopic Studies.- Ab Initio Study of a Partially Hydrated Electron.- Reactions on the Surface Of and Inside Ionized Water “Nanodroplets”.- Interplay between Ionic and Hydrogen-Bond Interactions in Gas Phase Cluster Ions.- Proton Transfer Reactions within Water Clusters: A Model Study using X...(H20)n Clusters (X=H20, NH3, H2S, HC1).- A Case Study on Molecular Clusters and Atmospheric Aerosols: Chlorine Nitrate Hydrolysis.- Protonation and Deprotonation of Thiomalonaldehyde. The role of the intramolecular hydrogen bond.- Molecular Dynamics of Ice Ih using a Polarizable Potential.- The Role of Hydrogen Bonds in the Structure of Metal-Nitroxide Complexes.- Formation of LC State of Ketovinilydene Anilines. Intra- and Intermolecular Hydrogen Bonds and cis-trans Isomerism.