Advances in Quantum Chemistry

by Erkki J. Brändas, John R. Sabin, Per-Olov Lowdin, Michael C. Zerner

Overview

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field, one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. The book features detailed reviews written by leading international researchers. In this volume, the readers are presented with an exciting combination of themes.

Product Details

ISBN-13:	9780120348404
Publisher:	Elsevier Science
Publication date:	07/30/2001
Series:	Advances in Quantum Chemistry , #40
Pages:	395
Product dimensions:	6.00(w) x 9.00(h) x (d)

About the Author

Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD’s from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology – from the microscopic realm to the cosmological rank.

Table of 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).

What People are Saying About This

From the Publisher

The only series available that presents timely and important developments in quantum chemistry

Editorial Reviews

"Quantum chemistry has emerged as a subject in its 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

From the Publisher

This serial presents a survey of the current developments in quantum chemistry by leading international researchers. Volume 23 presents the current state-of-the-art of the quantum theory of matter: from the theory of molecular Auger spectra, over linear algebra and its application to the search for linear relations in quantum chemistry and other sciences, canonical and non-canoical methods in group theory and group algebra, analytical energy gradient methods in computational quantum chemistry, to ab-initio molecular orbital calculations. Annotation c. Book News, Inc., Portland, OR (booknews.com)

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