Advances in quantum chemistry. From electronic structure to time-dependent processes / Vol.36, (1999)

• Record Type: Book
• Further Information: Note: Edited by Per-Olov Löwdin ... [et al.].
• Other Names: Löwdin, Per-Olov
• Contents: 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 X2 A<->1 /A2 B<->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.
• Publisher Details: Place of publication not identified : Academic Press
• Publication Date: 1999
• Extent: 1 online resource (394 pages)
• Subjects: 540; Quantum chemistry; Electronic structure; Electronic structure; Quantum chemistry
• Languages: English
• ISBNs: 9780080582610; 0080582613
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.