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9780120348107

Advances in Quantum Chemistry

by
  • ISBN13:

    9780120348107

  • ISBN10:

    0120348101

  • Format: Hardcover
  • Copyright: 1977-05-01
  • Publisher: Academic Pr

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Summary

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.

Table of Contents

Symbols in Science (Roy McWeeny)
Some Mathematical Problems in the Description of Dissociating Molecules
Recent Applications of Spin-Coupled Valence Bond Theory to Charge Transfer Collisions
AB Initio Program for Treatment of Related Systems
Transferable Quantities of Localized Molecular Orbitals
Thiouracils: Structures, Tautomerism, Interaction with Water, and Functioning in RNA and Modified DNA Base Pairs
Towards a Rigged Born-Oppenheimer Electronic Theory of Chemical Processes
Was H-2 Observed in Solid H2? A Theoretical Answer
D Parameter of the Morse Potential as a New Bond Index for Estimating Bond Breaking Energy in A Molecule
Effects of Halogen Substituents on the Conformations of Vinyl Alcohol and Vinyl Thiol: A Theoretical Study
Localization of Energy Exchanges in Field-Assisted Double-Barrier Resonant Tunneling
Spin Uncoupling in Chemical Reactions
Assignment and Convergence of IR Spectra for a Sequence of Polypyridine Oligomers
D-Wave Bipolaronic Condensate with Short Range Repulsive Electronic Correlations in an Extended Hubbard Model of High Tc Cuprate Superconductors
Orthogonalization of Vectors and Its Relation to Cognitive Phenomena
Binding in Clusters with Closed-Subshell Atoms (Alkaline-Earth Elements)
Reproduction of Metal-Cluster Magic Numbers Using a q-Deformed, 3-Dimensional, Harmonic Oscillator Model
Reaction Dynamics of Metallic Clusters Colliding with Atoms
Finite Element Three-Body Studies of Bound and Resonant States in Atoms and Molecules
A Computer Simulation of the Ring Puckering and Oxygen Wagging Dynamics in the S0 State of Cyclobutanone
Finite-Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields
Table of Contents provided by Publisher. All Rights Reserved.

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