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| ADVANCES IN QUANTUM CHEMISTRY, 40
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John Sabin, Quantum Theory Project, University of Florida, USA
Erkki Brandas, Uppsala University, Sweden
Per-Olov Lowden, Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.
Michael Zerner, Quantum Theory Project, University of Florida, Gainesville, U.S.A.
Included in series
Advances in Quantum Chemistry,
Advances in Quantum Chemistry, 40
Description
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the
historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international
researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
This
Volume and Volume 39 will be thematic volumes based on the proceedings of the Fifth European Workshop on Quantum Systems in Chemistry
and Physics which was held April 13-18, 2000, in Uppsala, Sweden. We published the proceedings from a previous meeting in 1998. See Volumes
31 and 32.
Audience
Researchers in quantum chemistry, applied mathematics, biology and physics; universities and industrial research and development groups
working on biological molecules and new materials, such as semiconductor chips, polymers, and alloys.
Contents
Symbols in Science (Roy McWeeny).
Some Mathematical Problems in the Description of Dissociating Molecules (Brian Sutcliffe).
Recent Applications of Spin-Coupled Valence Bond Theory to Charge Transfer Collisions (D.L. Cooper et al.).
AB Initio Program
for Treatment of Related Systems. Transferable Quantities of Localized Molecular Orbitals (C. Kozmutza et al.).
Thiouracils:
Structures, Tautomerism, Interaction with Water, and Functioning in RNA and Modified DNA Base Pairs (E.S. Kryachko, Minh Tho Nguyen).
Towards a Rigged Born-Oppenheimer Electronic Theory of Chemical Processes (O. Tapia).
Was H-2 Observed in Solid H2? A Theoretical
Answer
(H.U. Suter et al.).
D Parameter of the Morse Potential as a New Bond Index for Estimating Bond Breaking Energy in A Molecule
(E.S. Apostolova).
Effects of Halogen Substituents on the Conformations of Vinyl Alcohol and Vinyl Thiol: A Theoretical Study (Y.
Girard, P. Chaquin).
Localization of Energy Exchanges in Field-Assisted Double-Barrier Resonant Tunneling (C. Perez del Valle et
al.).
Spin Uncoupling in Chemical Reactions (B.F. Minaev, H. Ågren).
Assignment and Convergence of IR Spectra for
a Sequence of Polypyridine Oligomers (P. Cronstrand, H. Ågren).
D-Wave Bipolaronic Condensate with Short Range Repulsive Electronic
Correlations in an Extended Hubbard Model of High Tc Cuprate Superconductors
(L.J. Dunne, E.J. Brändas).
Orthogonalization
of Vectors and Its Relation to Cognitive Phenomena (V. Srivastava).
Binding in Clusters with Closed-Subshell Atoms (Alkaline-Earth
Elements)(I.G. Kaplan et al.).
Reproduction of Metal-Cluster Magic Numbers Using a q-Deformed, 3-Dimensional, Harmonic
Oscillator Model
(A. Kuleff et al.).
Reaction Dynamics of Metallic Clusters Colliding with Atoms (Ulf Saalmann).
Finite Element Three-Body Studies of Bound and Resonant States in Atoms and Molecules (T. Alferova et al.).
A Computer
Simulation of the Ring Puckering and Oxygen Wagging Dynamics in the S0 State of Cyclobutanone (D.C. Moule et al.).
Finite-Difference
Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields (M.V. Ivanov, P. Schmelcher).
| Bibliographic details |
Hardbound, 395 pages, publication date: JUL-2001
ISBN-13: 978-0-12-034840-4
ISBN-10: 0-12-034840-3
Imprint: ACADEMIC PRESS
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Last update: 27 Sep 2008
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