Advances in quantum chemistry. Volume 70

Publication Data

• Title Advances in quantum chemistry. Volume 70
• Contributors John R. Sabin, Erkki J. Brandas
• Publisher Academic Press
• Publication date 2015
• Publication location Amsterdam
• Language English

Descriptive Notes

Includes index.

Contents

1. Electronic Structure Calculations for Antiferromagnetism of Cuprates Using SIWB Method for Anions in DV and a Density Functional Theory Confirming from Finite Element Method

Kimichika Fukushima

2. Quantum Chemistry In Proton Conductors: Mechanism Elucidation and Materials Design

Taku Onishi

3. Time-Dependent Treatment of Molecular Processes

Yngve Öhrn

4. Stretching and Breaking of Chemical Bonds, Correlation of Electrons, and Radical Properties of Covalent Species

Elena Sheka

5. Mechanistic Radiobiological Models for Repair of Cellular Radiation Damage

Dzevad Belkic and Karen Belkic

6. Molecular Integrals for Exponential-Type Orbitals Using Hyperspherical Harmonics

James Emil Avery and John Scales Avery

7. Large Scale QM/MM Calculations of Hydrogen Bonding Networks for Proton Transfer and Water Inlet Channels for Water Oxidation. Theoretical System Models of the Oxygen Evolving Complex of Photosystem II Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Yasufumi Umena, Keisuke Kawakami, Nobuo Kamiya, Jian-Ren Shen, Takahito Nakajima and Kizashi Yamaguchi

Topics

• Quantum chemistry

Advances in quantum chemistry. Volume 70. ISBN 9780128019153. Published by Academic Press in 2015. Publication and catalogue information, links to buy online and reader comments.