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Full Description
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes.
Contents
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
Quantum Chemistry In Proton Conductors: Mechanism Elucidation and Materials Design
Taku Onishi
Time-Dependent Treatment of Molecular Processes
Yngve Öhrn
Stretching and Breaking of Chemical Bonds, Correlation of Electrons, and Radical Properties of Covalent Species
Elena Sheka
Mechanistic Radiobiological Models for Repair of Cellular Radiation Damage
Dzevad Belkic and Karen Belkic
Molecular Integrals for Exponential-Type Orbitals Using Hyperspherical Harmonics
James Emil Avery and John Scales Avery
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
