Advances in Quantum Chemistry
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9780128018910

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Advances in Quantum Chemistry ◽

10.1016/s0065-3276(14)00014-8 ◽

2015 ◽

pp. iv

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

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.07.005 ◽

2015 ◽

pp. 111-161 ◽

Cited By ~ 6

Author(s):

Elena Sheka

Keyword(s):

Chemical Bonds

Preface

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(14)00016-1 ◽

2015 ◽

pp. ix-xi

Author(s):

John R. Sabin ◽

Erkki J. Brändas

Mechanistic Radiobiological Models for Repair of Cellular Radiation Damage

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.07.003 ◽

2015 ◽

pp. 163-263

Author(s):

Dževad Belkić ◽

Karen Belkić

Keyword(s):

Radiation Damage ◽

Radiobiological Models

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

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.10.001 ◽

2015 ◽

pp. 325-413 ◽

Cited By ~ 18

Author(s):

M. Shoji ◽

H. Isobe ◽

S. Yamanaka ◽

Y. Umena ◽

K. Kawakami ◽

...

Keyword(s):

Hydrogen Bonding ◽

Photosystem Ii ◽

Proton Transfer ◽

Water Oxidation ◽

Large Scale ◽

Oxygen Evolving Complex ◽

System Models ◽

Theoretical System ◽

Hydrogen Bonding Networks ◽

Oxygen Evolving

Index

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(14)00018-5 ◽

2015 ◽

pp. 415-425

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

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.07.001 ◽

2015 ◽

pp. 1-29 ◽

Cited By ~ 1

Author(s):

Kimichika Fukushima

Keyword(s):

Finite Element Method ◽

Density Functional Theory ◽

Finite Element ◽

Electronic Structure ◽

Density Functional ◽

Electronic Structure Calculations ◽

Functional Theory ◽

Structure Calculations ◽

Element Method

Time-Dependent Treatment of Molecular Processes

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.07.002 ◽

2015 ◽

pp. 69-109 ◽

Cited By ~ 1

Author(s):

Yngve Öhrn

Keyword(s):

Time Dependent ◽

Molecular Processes

Molecular Integrals for Exponential-Type Orbitals Using Hyperspherical Harmonics

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.07.004 ◽

2015 ◽

pp. 265-324 ◽

Cited By ~ 6

Author(s):

James Emil Avery ◽

John Scales Avery

Keyword(s):

Exponential Type ◽

Hyperspherical Harmonics ◽

Molecular Integrals ◽

Exponential Type Orbitals

Quantum Chemistry in Proton-Conductors

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.08.001 ◽

2015 ◽

pp. 31-67 ◽

Cited By ~ 13

Author(s):

Taku Onishi

Keyword(s):

Quantum Chemistry ◽

Proton Conductors