Annual Reports in Computational Chemistry
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Preface

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(17)30017-8 ◽

2017 ◽

pp. xi-xiii

Author(s):

David A. Dixon ◽

Robert Ramsay Chair

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Plane-Wave DFT Methods for Chemistry

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2017.06.006 ◽

2017 ◽

pp. 185-228 ◽

Cited By ~ 4

Author(s):

Eric J. Bylaska

Keyword(s):

Plane Wave ◽

Dft Methods

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Interpreting Bonding and Spectra With Correlated, One-Electron Concepts From Electron Propagator Theory

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2017.06.002 ◽

2017 ◽

pp. 139-182 ◽

Cited By ~ 5

Author(s):

Joseph V. Ortiz

Keyword(s):

Electron Propagator ◽

Propagator Theory

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Contributors

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(17)30016-6 ◽

2017 ◽

pp. ix

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Dissociation in Binary Acid/Base Clusters: An Examination of Inconsistencies Introduced Into the Many-Body Expansion by Naïve Fragmentation Schemes

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2017.06.003 ◽

2017 ◽

pp. 93-115 ◽

Cited By ~ 2

Author(s):

Gregory S. Tschumper ◽

Thomas L. Ellington ◽

Sarah N. Johnson

Keyword(s):

Many Body ◽

Acid Base ◽

The Many

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Benchmark Databases of Intermolecular Interaction Energies: Design, Construction, and Significance

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2017.06.004 ◽

2017 ◽

pp. 3-91 ◽

Cited By ~ 2

Author(s):

Konrad Patkowski

Keyword(s):

Intermolecular Interaction ◽

Interaction Energies ◽

Design Construction

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The Quantum Chemical Study of Chemical Reactions at Extreme High Pressure by Means of the Extreme-Pressure Polarizable Continuum Model

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2017.06.001 ◽

2017 ◽

pp. 117-135 ◽

Cited By ~ 3

Author(s):

Roberto Cammi

Keyword(s):

High Pressure ◽

Chemical Reactions ◽

Quantum Chemical ◽

Continuum Model ◽

Quantum Chemical Study ◽

Chemical Study ◽

Polarizable Continuum Model ◽

Extreme Pressure ◽

Polarizable Continuum

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Gaussian Accelerated Molecular Dynamics: Theory, Implementation, and Applications

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2017.06.005 ◽

2017 ◽

pp. 231-278 ◽

Cited By ~ 26

Author(s):

Yinglong Miao ◽

J. Andrew McCammon

Keyword(s):

Molecular Dynamics ◽

Accelerated Molecular Dynamics

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Copyright

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(17)30014-2 ◽

2017 ◽

pp. iv

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