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Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields
R. Chaudret
1
B. de Courcy
1
A. Marjolin
2
M.-C. van Severen
3
P. Ren
4
J. Wu
4
O. Parisel
3
J.-P. Piquemal
3
P. Ren 4
Author
J. Wu 4
Author
O. Parisel 3
Author
J.-P. Piquemal 3
Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
1
LCT - Laboratoire de chimie théorique (Tour 12-13, 4ème étage, 4 place Jussieu, Case Courrier 137, 75252 PARIS - France)
- UPMC - Université Pierre et Marie Curie - Paris 6 (4 place Jussieu - 75005 Paris - France)
- INC - Institut de Chimie du CNRS (3 Rue Michel-Ange 75 016 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7616 / UPR9070 (France)
2
Lab Chim Coordinat Elements F (CEA Saclay, SIS2M 3299? F-91191 Gif Sur Yvette, France - France)
- CNRS - Centre National de la Recherche Scientifique : UMR3299 (France)
3
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)
4
Biomedical Engineering [Austin] (Cockrell School of Engineering, The University of Texas at Austin
107 W. Dean Keeton, BME Building, 1 University Station, C0800
Austin, Texas 78712 - United States)
- University of Texas at Austin [Austin] (1 University Station Austin, Texas 78712 - United States)
Document type :
Conference papers
Complete list of metadata
https://hal.archives-ouvertes.fr/hal-02126865
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 7:08:46 AM
Last modification on : Thursday, March 31, 2022 - 8:20:04 AM
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 7:08:46 AM
Last modification on : Thursday, March 31, 2022 - 8:20:04 AM
Identifiers
- HAL Id : hal-02126865, version 1
Collections
CNRS | INC-CNRS | LCT | UPMC | SORBONNE-UNIVERSITE | SU-SCIENCES
Citation
R. Chaudret, B. de Courcy, A. Marjolin, M.-C. van Severen, P. Ren, et al.. Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields. INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009), 2009, Rhodes, Greece. pp.699-702. ⟨hal-02126865⟩
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