Recent Theoretical and Experimental Advances in Hydrogen Bonded Clusters 561 Nato Science Series C - Primera edición

EAN (ISBN-13): 9789048156108
ISBN (ISBN-10): 9048156106
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Año de publicación: 2010
Editorial: Springer Netherlands
444 Páginas
Peso: 0,666 kg
Idioma: eng/Englisch

Libro en la base de datos desde 2011-06-08T22:59:40+02:00 (Madrid)
Página de detalles modificada por última vez el 2022-01-21T15:26:02+01:00 (Madrid)
ISBN/EAN: 9789048156108

ISBN - escritura alterna:
90-481-5610-6, 978-90-481-5610-8
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Autor del libro: jürgen kraus, brousseau guy, samarski, guy vincent, jürgen wagner, matt galan, devanathan, degenaar
Título del libro: nato, the hydrogen bond

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Datos del la editorial

Autor: S.S. Xantheas
Título: Nato Science Series C:; Recent Theoretical and Experimental Advances in Hydrogen Bonded Clusters
Editorial: Springer; Springer Netherland
430 Páginas
Año de publicación: 2010-12-15
Dordrecht; NL
Impreso en
Idioma: Inglés
160,49 € (DE)
164,99 € (AT)
177,00 CHF (CH)
POD
X, 430 p.

BC; Hardcover, Softcover / Chemie/Physikalische Chemie; Physikalische Chemie; Verstehen; Physical Chemistry; Theoretical, Mathematical and Computational Physics; Mathematische Physik; BB; EA

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.