Advances in Quantum Chemistry

Author:   Erkki J. Brändas (Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, Sweden) ,  John R. Sabin (Professor of Physics and Chemistry Emeritus, University of Florida, and Adjungeret Professor, University of Southern Denmark) ,  Per-Olov Lowdin (DEPARTMENT OF QUANTUM CHEMISTRY, UPPSALA UNIVERSITY, UPPSALA, SWEDEN AND QUANTUM THEORY PROJECT, UNIVERSITY OF FLORIDA<br>GAINESVILLE, FLORIDA) ,  Michael C. Zerner (Quantum Theory Project, University of Florida, Gainesville, U.S.A.)
Publisher:   Elsevier Science Publishing Co Inc
Volume:   40
ISBN:  

9780120348404


Pages:   395
Publication Date:   17 August 2001
Format:   Hardback
Availability:   In Print   Availability explained
Limited stock is available. It will be ordered for you and shipped pending supplier's limited stock.

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Advances in Quantum Chemistry


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Author:   Erkki J. Brändas (Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, Sweden) ,  John R. Sabin (Professor of Physics and Chemistry Emeritus, University of Florida, and Adjungeret Professor, University of Southern Denmark) ,  Per-Olov Lowdin (DEPARTMENT OF QUANTUM CHEMISTRY, UPPSALA UNIVERSITY, UPPSALA, SWEDEN AND QUANTUM THEORY PROJECT, UNIVERSITY OF FLORIDA<br>GAINESVILLE, FLORIDA) ,  Michael C. Zerner (Quantum Theory Project, University of Florida, Gainesville, U.S.A.)
Publisher:   Elsevier Science Publishing Co Inc
Imprint:   Academic Press Inc
Volume:   40
Dimensions:   Width: 15.20cm , Height: 3.30cm , Length: 22.90cm
Weight:   0.680kg
ISBN:  

9780120348404


ISBN 10:   0120348403
Pages:   395
Publication Date:   17 August 2001
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Out of Print
Availability:   In Print   Availability explained
Limited stock is available. It will be ordered for you and shipped pending supplier's limited stock.

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).

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


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


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


Author Information

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.

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