Advances in Quantum Chemistry
Directeurs de Collection : Sabin John R., Brändas Erkki J.
- Electronic Structure Calculations for Antiferromagnetism of Cuprates Using SIWB Method for Anions in DV and a Density Functional Theory Confirming from Finite Element Method
- Quantum Chemistry In Proton Conductors: Mechanism Elucidation and Materials Design
- Time-Dependent Treatment of Molecular Processes
- Stretching and Breaking of Chemical Bonds, Correlation of Electrons, and Radical Properties of Covalent Species
- Mechanistic Radiobiological Models for Repair of Cellular Radiation Damage
- Molecular Integrals for Exponential-Type Orbitals Using Hyperspherical Harmonics
- 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
Kimichika Fukushima
Taku Onishi
Yngve Öhrn
Elena Sheka
Dzevad Belkic and Karen Belkic
James Emil Avery and John Scales Avery
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.
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
- Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology
- Features detailed reviews written by leading international researchers
Date de parution : 01-2015
Ouvrage de 440 p.
15x22.8 cm
Thèmes d’Advances in Quantum Chemistry :
Mots-clés :
< P> Quantum theory; atomic theory; molecular theory; formalism; calculation; dynamics; electronic structure< /P>