 |
Free and accessible knowledge |
Journal articles
Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field
Johnny Wu 1
Author
Jean-Philip Piquemal 2
Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
Robin Chaudret
Author
Peter Reinhardt 2
Author
Pengyu Ren 3
Author
1
University of Texas at Austin [Austin] (1 University Station Austin, Texas 78712 - United States)
2
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)
3
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 :
Journal articles
Complete list of metadata
https://hal.archives-ouvertes.fr/hal-02126833
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 11:23:47 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 11:23:47 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
Links full text
Identifiers
- HAL Id : hal-02126833, version 1
- DOI : 10.1021/ct100091j
- PUBMEDCENTRAL : PMC2992432
Collections
CNRS | LCT | UPMC | SORBONNE-UNIVERSITE | SU-SCIENCES | SU-TI | INC-CNRS
Citation
Johnny Wu, Jean-Philip Piquemal, Robin Chaudret, Peter Reinhardt, Pengyu Ren. Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field. Journal of Chemical Theory and Computation, American Chemical Society, 2010, 6 (7), pp.2059-2070. ⟨10.1021/ct100091j⟩. ⟨hal-02126833⟩
Metrics
Record views