Limited Offer

# Advances in Quantum Chemistry

- 1st Edition, Volume 51 - December 11, 2006
- Editors: John R. Sabin, Erkki J. Brändas
- Language: English
- Paperback ISBN:9 7 8 - 0 - 1 2 - 3 9 9 2 7 7 - 2
- Hardback ISBN:9 7 8 - 0 - 1 2 - 0 3 4 8 5 1 - 0
- eBook ISBN:9 7 8 - 0 - 0 8 - 0 4 6 7 3 9 - 9

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathemati… Read more

## Purchase options

## Institutional subscription on ScienceDirect

Request a sales quote*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.

*Advances in Quantum Chemistry, Volume 51* deals with various aspects of mathematical versus chemical applications. Some parts belong to established scientific domains, where technical progress has been crucial for the development of modern quantum chemistry as well as the quantification problem in spectral resonance analysis.

The first chapter in the volume, concerns the calculation of molecular electronic structure to high accuracy, using a variety of one and two-body schemes in the coupled cluster family of methods. Chapter 2 is devoted to Angular Momentum Diagrams. In chapters 3 and 4, the autors portray Chemical Graph Theory (CGT). Advances quantum mechanical signal processing through the fast Padé transform (FPT) are covered in Chapter 5. The concluding chapter gives a mathematical view of molecular equilibria using a Density-Functional Theory (DFT) description.

- Publishes articles, invited reviews and proceedings of major international conferences and workshops
- Compiled by the leading international researchers in quantum and theoretical chemistry
- Highlights the important, interdisciplinary developments

2. Angular Momentum Diagrams (P. Wormer, J. Paldus).

3. Chemical Graph Theory – The Mathematical Connection (I. Gutman).

4. Atomic Charges via Electronegativity Equalization: Generalizations and Perspectives (A. Oliferenko).

5. Fast Padé Transform for Exact Quantification of Time Signals in Magnetic Resonance Spectroscopy (D. Belkic).

6. Probing the Interplay between Electronic and Geometric Degrees-of-Freedom in Molecules and Reactive Systems (R. Nalewajski).

- No. of pages: 332
- Language: English
- Edition: 1
- Volume: 51
- Published: December 11, 2006
- Imprint: Academic Press
- Paperback ISBN: 9780123992772
- Hardback ISBN: 9780120348510
- eBook ISBN: 9780080467399

JS

### John R. Sabin

Sabin’s research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile’s mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target’s mean excitation energy. He has written some 250 articles in this and related fields.

Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.

EB