Explicit treatment of hydrogen bonds in the universal force field: Validation and application for metal-organic frameworks, hydrates, and host-guest complexes-Reference-Cited by-同舟云学术

Explicit treatment of hydrogen bonds in the universal force field: Validation and application for metal-organic frameworks, hydrates, and host-guest complexes

Published:2017-10-28 Issue:16 Volume:147 Page:161705
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Coupry Damien E.¹,Addicoat Matthew A.²^ORCID,Heine Thomas¹

Affiliation:

1. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Fakultät für Chemie und Mineralogie, Universität Leipzig, Linnéstr. 2, 04103 Leipzig, Germany

2. School of Science and Technology, Nottingham Trent University, Clifton Lane, NG11 8NS Nottingham, United Kingdom

Funder

European Commission (EC)

Deutsche Forschungsgemeinschaft (DFG)

Volkswagen Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4985196

Reference94 articles.