 |
Free and accessible knowledge |
Book sections
Design Of Next Generation Force Fields From AB Initio Computations: Beyond Point Charges Electrostatics
P. Reinhardt 5
Author
O. Parisel 5
Author
J. Piquemal 5
Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
1
Wayne State University [Detroit] (Detroit, Michigan, United States - United States)
2
NIEHS-NIH - National Institute of Environmental Health Sciences [Durham] (Research Triangle Park, Durham, NC, 27709 - United States)
- NIH - National Institutes of Health [Bethesda] (9000 Rockville Pike, Bethesda, Maryland 20892 - United States)
3
UPD5 - Université Paris Descartes - Paris 5 (12, rue de l'École de Médecine - 75270 Paris cedex 06 - France)
4
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)
5
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)
Document type :
Book sections
Complete list of metadata
https://hal.archives-ouvertes.fr/hal-02127328
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 1:26:23 PM
Last modification on : Thursday, March 31, 2022 - 8:20:01 AM
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 1:26:23 PM
Last modification on : Thursday, March 31, 2022 - 8:20:01 AM
Identifiers
- HAL Id : hal-02127328, version 1
Collections
CNRS | INC-CNRS | LCT | UPMC | UNIV-PARIS5 | SORBONNE-UNIVERSITE | SU-SCIENCES | UNIV-PARIS
Citation
G.A. Cisneros, T.A. Darden, N. Gresh, J. Pilme, P. Reinhardt, et al.. Design Of Next Generation Force Fields From AB Initio Computations: Beyond Point Charges Electrostatics. Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications, Springer Netherlands, pp.137-172, 2009. ⟨hal-02127328⟩
Metrics
Record views