Annual Reports in Computational Chemistry
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Published By Elsevier

9780128206942

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Computational solvation dynamics: Implementation, application, and validation

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2020.07.001 ◽

2020 ◽

pp. 93-154

Author(s):

Christian Schröder ◽

Esther Heid

Keyword(s):

Solvation Dynamics

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Localized relativistic two-component methods for ground and excited state calculations

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2020.07.005 ◽

2020 ◽

pp. 17-37

Author(s):

Tianyuan Zhang ◽

Joseph M. Kasper ◽

Xiaosong Li

Keyword(s):

Excited State ◽

Two Component

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Preface

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(20)30013-x ◽

2020 ◽

pp. ix-xi

Author(s):

David A. Dixon ◽

Robert Ramsay Chair

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Catalytic and autocatalytic chemical processes in the atmosphere

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2020.07.003 ◽

2020 ◽

pp. 157-185

Author(s):

Jie Zhong ◽

Joseph S. Francisco

Keyword(s):

Chemical Processes

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Molecular dynamics with nuclear quantum effects: Approximations to the quantum force

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2020.07.004 ◽

2020 ◽

pp. 41-90

Author(s):

Sophya Garashchuk ◽

Vitaly A. Rassolov

Keyword(s):

Molecular Dynamics ◽

Quantum Effects ◽

Quantum Force ◽

Nuclear Quantum Effects

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Copyright

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(20)30010-4 ◽

2020 ◽

pp. iv

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Quantization of Hamilton's equations and the classical phase space density

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2020.07.002 ◽

2020 ◽

pp. 3-15

Author(s):

Kyle K.G. Smith ◽

David A. Dixon

Keyword(s):

Phase Space ◽

Phase Space Density ◽

Space Density ◽

Classical Phase Space ◽

Hamilton's Equations ◽

Hamilton’S Equations

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Contributors

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(20)30012-8 ◽

2020 ◽

pp. vii

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