Advances in Quantum Chemistry

Advances in Quantum Chemistry, 1st Edition

Advances in Quantum Chemistry, 1st Edition,Erkki Brandas,John Sabin,Per-Olov Lowden,Michael Zerner,ISBN9780120348404

Advances in Quantum Chemistry

Brandas   &   Sabin   &   Lowden   &   Zerner   

Academic Press



229 X 152

Print Book


In Stock

Estimated Delivery Time
USD 275.00


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.


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.

Erkki Brandas

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.

Affiliations and Expertise

Uppsala University, Sweden

View additional works by Erkki J. Brandas

John Sabin

I was born in Springfield, Mass, and Educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, I was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston. For the past four decades, I have worked in the Quantum Theory Project, Department of Physics, at the University of Florida. My interests have always been in the theory of molecular electronic structure. More recently, I have been working on the interaction of fast particles, mostly protons and alpha particles, with proto-biological molecules, in terms of the transfer of energy from the projectile to the molecular target, and the outcome of that energy transfer. Such energy transfer is primarily electronic, and the initial electronic excitation results in target electronic and vibrational excitation, ionization, fragmentation, charge exchange, and other processes. The study of these processes, known as stopping power, has applications in fields from microelectronics to tumor therapy. The investigations are interesting and continue.

Affiliations and Expertise

Quantum Theory Project, University of Florida, Gainesville, FL, USA

View additional works by John R. Sabin

Per-Olov Lowden

Affiliations and Expertise

Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.

View additional works by Per-Olov Lowden

Michael Zerner

Affiliations and Expertise

Quantum Theory Project, University of Florida, Gainesville, U.S.A.

View additional works by Michael C. Zerner

Advances in Quantum Chemistry, 1st Edition

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).

Quotes and 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."
@qu:"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."
Free Shipping
Shop with Confidence

Free Shipping around the world
▪ Broad range of products
▪ 30 days return policy

Contact Us