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Journal articles
Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field
Johnny Wu 1
Author
Jean-Philip Piquemal 2
Mail :
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
Mail :
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)
- CNRS - Centre National de la Recherche Scientifique : UMR7616 (France)
- UPMC - Université Pierre et Marie Curie - Paris 6 (4 place Jussieu - 75005 Paris - 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)
Complete list of metadatas
https://hal.archives-ouvertes.fr/hal-02126833
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 11:23:47 PM
Last modification on : Tuesday, December 24, 2019 - 12:40:07 PM
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 11:23:47 PM
Last modification on : Tuesday, December 24, 2019 - 12:40:07 PM
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Identifiers
- HAL Id : hal-02126833, version 1
- DOI : 10.1021/ct100091j
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CNRS | INC-CNRS | LCT | UPMC | SORBONNE-UNIVERSITE | SU-SCIENCES
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⟩
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