Robin Chaudret

Many‐body exchange‐repulsion in polarizable molecular mechanics. I. orbital‐based approximations and applications to hydrated metal cation complexes

Nohad Gresh, Jean-Philip Piquemal, Olivier Parisel, 2011, J. Comput. Chem..

Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force field.

Jean-Philip Piquemal, Pengyu Ren, Robin Chaudret, 2010, Journal of Chemical Theory and Computation.

Electron Pair Localization Function (EPLF) for Density Functional Theory and ab Initio Wave Function-Based Methods: A New Tool for Chemical Interpretation.

Jean-Philip Piquemal, Michel Caffarel, Robin Chaudret, 2011, Journal of chemical theory and computation.

Correlation between electron localization and metal ion mutagenicity in DNA synthesis from QM/MM calculations.

Jean-Philip Piquemal, Robin Chaudret, G Andrés Cisneros, 2011, Physical chemistry chemical physics : PCCP.

NCIPLOT: a program for plotting non-covalent interaction regions.

Jean-Philip Piquemal, Julia Contreras-García, Shahar Keinan, 2011, Journal of chemical theory and computation.

S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.

Nohad Gresh, Jean-Philip Piquemal, Louis Lagardère, 2014, The journal of physical chemistry. A.

Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair Enzymes.

Jean-Philip Piquemal, Robin Chaudret, G Andrés Cisneros, 2013, Journal of chemical theory and computation.