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Piquemal, Jean-Philip
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ResearcherID: B-9901-2009
E-mail:
URL: http://www.researcherid.com/rid/B-9901-2009
Subject: Chemistry; Physics
Keywords: theoretical and computational chemistry; molecular simulations; quantum chemistry; computational chemistry; computational biophysics; bioinorganic chemistry; force field development; molecular dynamics simulations; electronic structure theory; chemical physics, physical chemistry; molecular physics
Publons: https://publons.com/a/1202920
ORCID: http://orcid.org/0000-0001-6615-9426
My Institutions (more details)
Primary Institution:
Sub-org/Dept: Laboratoire de Chimie Théorique (LCT), UMR 7616 CNRS
Role:
Joint Affiliation:
Sub-org/Dept: Biomedical Engineering
Role:
Past Institutions: National Institute of Environmental Health Sciences
Description:
My URLs: http://piquemalresearch.com
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
 Author(s): Contreras-Garcia, J; Johnson, ER; Keinan, S; et al.
 Source: Journal of Chemical Theory and Computation Volume: 7 Issue: 3 Pages: 625-632 Published: MAR 2011
 Times Cited: 712
 DOI: 10.1021/ct100641a
added
18-Mar-11
2.  Title: Anisotropic, polarizable molecular mechanics studies of inter- and intramoecular interactions and ligand-macromolecule complexes. A bottom-up strategy
 Author(s): GRESH, N; CISNEROS, GA; DARDEN, TA; et al.
 Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 3 Issue: 6 Pages: 1960-1986 Published: NOV-DEC 2007
 Times Cited: 229
 DOI: 10.1021/ct700134r
added
30-Jul-09
3.  Title: Are Bond Critical Points Really Critical for Hydrogen Bonding?
 Author(s): Lane, J. R.; Contreras-Garcia, J.; Piquemal, J. P.; et al.
 Source: Journal of Chemical Theory and Computation Volume: 9 Issue: 8 Pages: 3263-3266 Published: 2013
 Times Cited: 161
 DOI: 10.1021/ct400420r
added
15-Oct-13
4.  Title: Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure
 Author(s): PIQUEMAL, JP; PERERA, L; CISNEROS, GA; et al.
 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 125 Issue: 5 Published: AUG 7 2006
 Times Cited: 136
 DOI: 10.1063/1.2234774
added
30-Jul-09
5.  Title: Towards a force field based on density fitting
 Author(s): PIQUEMAL, JP; CISNEROS, GA; REINHARDT, P; et al.
 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 124 Issue: 10 Published: MAR 14 2006
 Times Cited: 124
 DOI: 10.1063/1.2173256
added
30-Jul-09
6.  Title: Improved formulas for the calculation of the electrostatic contribution to the intermolecular interaction energy from multipolar expansion of the electronic distribution
 Author(s): PIQUEMAL, JP; GRESH, N; GIESSNER-PRETTRE, C
 Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 107 Issue: 48 Pages: 10353-10359 Published: DEC 4 2003
 Times Cited: 103
 DOI: 10.1021/jp035748t
added
30-Jul-09
7.  Title: Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field
 Author(s): WU, JC; PIQUEMAL, JP; CHAUDRET, R; et al.
 Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 7 Pages: 2059-2070 Published: JUL 2010
 Times Cited: 92
 DOI: 10.1021/ct100091j
added
23-Jul-10
8.  Title: A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution
 Author(s): PIQUEMAL, JP; MARQUEZ, A; PARISEL, O; et al.
 Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 26 Issue: 10 Pages: 1052-1062 Published: JUL 30 2005
 Times Cited: 82
 DOI: 10.1002/jcc.20242
added
30-Jul-09
9.  Title: Toward a separate reproduction of the contributions to the Hartree-Fock and DFT intermolecular interaction energies by polarizable molecular mechanics with the SIBFA potential
 Author(s): PIQUEMAL, JP; CHEVREAU, H; GRESH, N
 Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 3 Issue: 3 Pages: 824-837 Published: MAY-JUN 2007
 Times Cited: 76
 DOI: 10.1021/ct7000182
added
30-Jul-09
10.  Title: Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations
 Author(s): GRESH, N; PIQUEMAL, JP; KRAUSS, M
 Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 26 Issue: 11 Pages: 1113-1130 Published: AUG 2005
 Times Cited: 70
 DOI: 10.1002/jcc.20244
added
30-Jul-09
publication(s)  
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