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OverviewAdvances 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. Full Product DetailsAuthor: Per-Olov Lowdin (Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.) , Michael C. Zerner (Professor of Physics and Chemistry Emeritus, University of Florida, and Adjungeret Professor, University of Southern Denmark) , Erkki J. Brandas (Quantum Theory Project, University of Florida, Gainesville, U.S.A.) , Erkki J. Brändas (Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, Sweden)Publisher: Elsevier Science Publishing Co Inc Imprint: Academic Press Inc Volume: v. 36 Dimensions: Width: 15.20cm , Height: 2.30cm , Length: 22.90cm Weight: 0.670kg ISBN: 9780120348367ISBN 10: 0120348365 Pages: 394 Publication Date: 18 October 1999 Audience: Professional and scholarly , Professional & Vocational Format: Hardback Publisher's Status: Out of Print Availability: In Print  Limited stock is available. It will be ordered for you and shipped pending supplier's limited stock. Table of ContentsG. 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 X2A<->1/A2B<->2 Nonadiabatic Franck-Condon Absorption Spectrum of NO<->2. V. Aquilanti, G. Capecchi, and S. Cavalli, Hyperspherical Coordinates for Chemical Reaction Dynamics. R. McWeeny, On the Einstein-Podolsky-Rosen Paradox. Index.ReviewsPraise for the Series Quantum chemistry has emerged as a subject in it own right. The appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome. --PROCEEDINGS OF THE PHYSICAL SOCIETY The juxtaposition of the oldest of quantum chemical studies, atomic structure, and one of the newest, quantum biology, highlights the importance of quantum theory in modern chemistry. Thus, having first opened the book in search of a particular article, the reader is stimulated to delve into fields of which he has but a superficial knowledge. In this way the book can be instrumental in broadening the interests and background of those who turn to it. --THE ROYAL INSTITUTE OF CHEMISTRY Author InformationI was born in Springfield, Mass, and Educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, I was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston. For the past four decades, I have worked in the Quantum Theory Project, Department of Physics, at the University of Florida. My interests have always been in the theory of molecular electronic structure. More recently, I have been working on the interaction of fast particles, mostly protons and alpha particles, with proto-biological molecules, in terms of the transfer of energy from the projectile to the molecular target, and the outcome of that energy transfer. Such energy transfer is primarily electronic, and the initial electronic excitation results in target electronic and vibrational excitation, ionization, fragmentation, charge exchange, and other processes. The study of these processes, known as stopping power, has applications in fields from microelectronics to tumor therapy. The investigations are interesting and continue. Tab Content 6Author Website:Countries AvailableAll regions |
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