A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+

Erstveröffentlichung

2014

Authors

Kromann, Jimmy C.

Christensen, Anders S.

Steinmann, Casper

Korth, Martin

Jensen, Jan H.

Wissenschaftlicher Artikel

Published in

PeerJ ; 2 (2014). - Art.-Nr. e449. - ISSN 2167-8359

Link to publication

https://dx.doi.org/10.7717/peerj.449

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Subject headings

[Free subject headings]: Computational chemistry | Proteins | Biochemistry | Computational biochemistry | Molecular modeling | MOLECULAR-ORBITAL METHODS | INTERACTION ENERGIES | COOPERATIVITY | MECHANICS | DATABASE | SYSTEMS | CHAINS | SETS
[DDC subject group]: DDC 540 / Chemistry & allied sciences

Metadata

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