Author(s): Per-Olov Löwdin; et al
Series: Advances in Quantum Chemistry 40
Publisher: Academic
Year: 2001
Language: English
Pages: 1-395
City: San Diego, Calif. ; London
Content:
Editorial Board
Pages ii-iii
Contributors volume 40
Pages xi-xiii
Contents volume 39
Pages xv-xx
Contributors volume 39
Pages xxi-xxv
Preface
Pages xxv-xxvi
E. Brandas, O. Goscinski
Workshop participants
Pages xxvii-xxxi
Symbols in science
Pages 1-16
Roy McWeeny
Some mathematical problems in the description of dissociating molecules Original Research Article
Pages 17-36
Brian Sutcliffe
Recent applications of spin-coupled valence bond theory to charge transfer collisions Original Research Article
Pages 37-48
David L. Coopert, Nick J. Clarke, Phillip C. Stancil, Bernard Zygelman
Ab initio program for treatment of related systems. Transferable quantities of localized molecular orbitals Original Research Article
Pages 49-77
C. Kozmutza, E. Tfirst, I.G. Csizmadia
Thiouracils: Structures, tautomerism, interaction with water, and functioning in RNA and modified DNA base Pairs Review Article
Pages 79-102
Eugene S. Kryachko, Minh Tho Nguyen
Towards a rigged born-oppenheimer electronic theory of chemical processes Original Research Article
Pages 103-131
O. Tapia
Was H2− observed in solid H2? A theoretical answer Review Article
Pages 133-142
H.U. Suter, B. Engels, S. Lunell
D parameter of the morse potential as a new bond index for estimating bond breaking energy in a molecule Review Article
Pages 143-159
Elena S. Apostolova
Effects of halogen substituents on the conformations of vinyl alcohol and vinyl thiol : A theoretical study Review Article
Pages 161-177
Y. Girard, P. Chaquin
Localization of energy exchanges in field-assisted double-barrier resonant tunneling Review Article
Pages 179-190
C. Perez del Valle, R. Lefebvre, O. Atabek
Spin uncoupling in chemical reactions Review Article
Pages 191-211
Boris F. Minaev, Hans Ågren
Assignment and convergence of IR spectra for a sequence of polypyridine oligomers Review Article
Pages 213-223
Peter Cronstrand, Hans Ågren
D-wave bipolaronic condensate with short range repulsive electronic correlations in an extended hubbard model of high Tc cuprate superconductors Review Article
Pages 225-247
L.J. Dunne, E.J. Brändas
Orthogonalization of vectors and its relation to cognitive phenomena Review Article
Pages 249-255
Vipin Srivastava
Binding in clusters with closed-subshell atoms (alkaline-earth elements) Review Article
Pages 257-278
I.G. Kaplan, Szczepan Roszak, Jerzy Leszczynski
Reproduction of metal-cluster magic numbers using a q-deformed, 3-dimensional, harmonic oscillator model Review Article
Pages 279-304
A.I. Kuleff, J. Maruani, P.P. Raychev
Reaction dynamics of metallic clusters colliding with atoms Review Article
Pages 305-322
Ulf Saalmann
Finite element three-body studies of bound and resonant states in atoms and molecules Review Article
Pages 323-344
T. Alferova, S. Andersson, N. Elander, S. Levin, E. Yarevsky
A computer simulation of the ring puckering and oxygen wagging dynamics in the S0 state of cyclobutanone Review Article
Pages 345-359
D.C. Moule, W. Fraessdorf, C. Muñoz-Caro, A. Niño
Finite-difference calculations for atoms and diatomic molecules in strong magnetic and static electric fields Review Article
Pages 361-379
Mikhail V. Ivanov, Peter Schmelcher
Index
Pages 381-395
