Advances in Quantum Chemistry
Thematic title: From Electronic Structure to Time-Dependent Processes
Academic Press
Published on 18. October 1999
394 pages
978-0-08-058261-0 (ISBN)
Description
Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and high-speed computers to solve the wave equations and achieve its results. Advances highlights these important, interdisciplinary developments.
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Other editions
Additional editions
Advances in Quantum Chemistry: Volume 36
Thematic title: From Electronic Structure to Time-Dependent Processes
Book
10/1999
Academic Press
€198.08
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Persons
Content
G. Berthier and C. Barbier, Half a Century of Hybridization. S. Fliszár, V. Barone, and E.C. Vauthier, Core and Valence Electrons in Atom-by-Atom Descriptions of Molecules. C. Adamo, A. di Matteo, and V. Barone, From Classical Density Functionals to Adiabatic Connection Methods: The State of the Art. S. Liu, F. De Proft, A. Nagy, and R. Parr, Exchange-Energy Density Functionals as Linear Combinations of Homogeneous Functionals of Density. T. Marino, N. Russo, E. Sicilia, M. Toscano, and T. Minerva, Density Fucntional Computations and Mass Spectrometric Measurements: Can This Coupling Enlarge the Knowledge of Gas-Phase Chemistry. I. Baraldi, F. Momicchioli, G. Ponterini, and D. Vanoni, A Recent Development of the CS INDO Model: Treatment of Solvent Effects on Structures and Optical Properties of Organic Dyes. A. Rastelli, R. Gandolfi, and M.S. Amadè, Regioselectivity and Diastereosselectivity in the 1,3-Dipolar Cycloadditions of Nitrones with Acrylonitrile and Maleonitrile: The Origin of ENDO/EXO Selectivity. S. Morpurgo, M. Bossa, and G.O. Morpurgo, Solvent-Mediated Proton Transfer Reactions in Cytosine: An Ab-initio Study. W. Kutzelnigg and P. von Herigonte, Electron Correlation at the Dawn of the 21st Century. X. Li, I. Grabowski, K. Jankowski, and J. Paldus, Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost-Linear Coupled Cluster Methods with Singles and Doubles. I. Smeyers, The Half Projected Hartree Fock Model for Determining Singlet Excited States. C. Angeli, C. Rolando, and M. Suard, Complexation of Transition Metal Cations (Sc+, Fe+, Cu+) by One Cyanide Radical. A. Lami, A. Ferretti, and G. Villani, On the Photophysics of Molecules with Charge-Transfer Excitations Between Aromatic Rings. M. Di Donato, R. Borrelli, A. Capobianco, G. Monaco, R. Improta, M. Brahimi, and A. Peluso, Proton Assisted Electron Transfer. F. Santoro and C. Petrongolo, Lanczos Calculation of the X2A1/A2B2 Nonadiabatic Franck-Condon Absorption Spectrum of NO2. V. Aquilanti, G. Capecchi, and S. Cavalli, Hyperspherical Coordinates for Chemical Reaction Dynamics. R. McWeeny, On the Einstein-Podolsky-Rosen Paradox. Index.
