Annual Reports in Computational Chemistry
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Ab Initio Molecular Dynamics Simulations of Ionic Liquids

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2018.08.001 ◽

2018 ◽

pp. 95-122

Author(s):

Jindal K. Shah

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

Preface

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(18)30013-6 ◽

2018 ◽

pp. ix-xi

Author(s):

David A. Dixon ◽

Robert Ramsay Chair

Regularized and Renormalized Many-Body Techniques for Describing Correlated Molecular Systems: A Coupled-Cluster Perspective

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2018.06.001 ◽

2018 ◽

pp. 3-45 ◽

Cited By ~ 1

Author(s):

Karol Kowalski ◽

Jiri Brabec ◽

Bo Peng

Keyword(s):

Coupled Cluster ◽

Many Body ◽

Molecular Systems ◽

Body Techniques

Copyright

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(18)30009-4 ◽

2018 ◽

pp. iv

Contributors

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(18)30011-2 ◽

2018 ◽

pp. vii

GronOR Nonorthogonal Configuration Interaction Calculations at Exascale

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2018.06.003 ◽

2018 ◽

pp. 77-91 ◽

Cited By ~ 5

Author(s):

Tjerk P. Straatsma ◽

Ria Broer ◽

Shirin Faraji ◽

Remco W.A. Havenith

Keyword(s):

Configuration Interaction ◽

Configuration Interaction Calculations

On the Development of Accurate Gaussian Basis Sets for f-Block Elements

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2018.06.002 ◽

2018 ◽

pp. 47-74 ◽

Cited By ~ 2

Author(s):

Kirk A. Peterson ◽

John Grant Hill

Keyword(s):

Basis Sets ◽

Gaussian Basis Sets