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DFT-steric-based energy decomposition analysis of intermolecular interactions
Dong Fang
Author
Jean-Philip Piquemal 1
Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
Shubin Liu 2
Author
G. Andrés Cisneros 3
Author Employer institution : Wayne State University [Detroit]
1
LCT - Laboratoire de chimie théorique (Tour 12-13, 4ème étage, 4 place Jussieu, Case Courrier 137, 75252 PARIS - France)
- INC - Institut de Chimie du CNRS (3 Rue Michel-Ange 75 016 Paris - France)
- SU - Sorbonne Université (21 rue de l’École de médecine - 75006 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7616 (France)
2
University of North Carolina at Chapel Hill (United States)
- UNC - University of North Carolina [Chapel Hill] (250 East Franklin Street, Chapel Hill, NC, - United States)
- UNC - University of North Carolina System (United States)
3
Wayne State University [Detroit] (Detroit, Michigan, United States - United States)
Document type :
Journal articles
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https://hal.archives-ouvertes.fr/hal-02126797
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 10:01:19 PM
Last modification on : Thursday, March 31, 2022 - 8:20:02 AM
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 10:01:19 PM
Last modification on : Thursday, March 31, 2022 - 8:20:02 AM
Identifiers
- HAL Id : hal-02126797, version 1
- DOI : 10.1007/s00214-014-1484-7
Collections
CNRS | INC-CNRS | LCT | SORBONNE-UNIVERSITE | SU-SCIENCES
Citation
Dong Fang, Jean-Philip Piquemal, Shubin Liu, G. Andrés Cisneros. DFT-steric-based energy decomposition analysis of intermolecular interactions. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2014, 133 (5), ⟨10.1007/s00214-014-1484-7⟩. ⟨hal-02126797⟩
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