Robin Chaudret - Publications, H-index & Citations

Robin Chaudret

University of Bristol

14H指数

48论文数

5.0K被引数

收录论文 14

发表时间

Molecular modeling and simulation of Raney Nickel: From alloy precursor to the final porous catalyst

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2015-03-01

OAAI

Schweizer, Sabine; Chaudret, Robin; Low, John; Subramanian, Lalitha

Prediction of absorption wavelengths using a combination of semi-empirical quantum mechanics simulations and quantitative structure-property relationship modeling approaches

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

IF4.7

2015-02-01

PREAI

Chaudret, R.; Kiss, Cs. F.; Subramanian, L.

Revisiting H2O Nucleation around Au+ and Hg2+: The Peculiar Pseudo-Soft Character of the Gold Cation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2014-04-16

OAAI

Chaudret, Robin; Contreras-Garcia, Julia; Decey, Mickael; Parisel, Olivier; Yang, Weitao; Piquemal, Jean-Philip

Nonclassical CH-π Supramolecular Interactions in Artemisinic Acid Favor a Single Conformation, Yielding High Diastereoselectivity in the Reduction with Diazene

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2014-03-20

PREAI

Castro, Bertrand; Chaudret, Robin; Ricci, Gino; Kurz, Michael; Ochsenbein, Philippe; Kretzschmar, Gerhard; Kraft, Volker; Rossen, Kai; Eisenstein, Odile

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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-04-26

OAAI

Fang, Dong; Chaudret, Robin; Piquemal, Jean-Philip; Cisneros, G. Andres

Noncovalent Interaction Analysis in Fluctuating Environments

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-04-04

186

OAAI

Wu, Pan; Chaudret, Robin; Hu, Xiangqian; Yang, Weitao

QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis

FEBS JOURNAL

IF4.2

2013-02-27

PREAI

van der Kamp, Marc W.; Chaudret, Robin; Mulholland, Adrian J.

Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-01-24

OAAI

Chaudret, Robin; Parks, Jerry M.; Yang, Weitao

Coupling Quantum Interpretative Techniques: Another Look at Chemical Mechanisms in Organic Reactions

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2012-09-24

108

OAAI

Gillet, Natacha; Chaudret, Robin; Contreras-Garcia, Julia; Yang, Weitao; Silvi, Bernard; Piquemal, Jean-Philip

Many-Body Exchange-Repulsion in Polarizable Molecular Mechanics. I. Orbital-Based Approximations and Applications to Hydrated Metal Cation Complexes

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2011-07-25

PREAI

Chaudret, Robin; Gresh, Nohad; Parisel, Olivier; Piquemal, Jean-Philip

Unraveling Low-Barrier Hydrogen Bonds in Complex Systems with a Simple Quantum Topological Criterion 用简单的量子拓扑准则解开复杂系统中的低势垒氢键

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2011-02-09

PREAI

Chaudret, Robin; Cisneros, G. Andres; Parisel, Olivier; Piquemal, Jean-Philip

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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2011-02-02

OAAI

Scemama, Anthony; Caffarel, Michel; Chaudret, Robin; Piquemal, Jean-Philip

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions NCIPLOT: 绘制非共价相互作用区域的程序

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2011-01-25

3.2K

OAAI

Contreras-Garcia, Julia; Johnson, Erin R.; Keinan, Shahar; Chaudret, Robin; Piquemal, Jean-Philip; Beratan, David N.; Yang, Weitao

Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2010-06-11

159

OAAI

Wu, Johnny C.; Piquemal, Jean-Philip; Chaudret, Robin; Reinhardt, Peter; Ren, Pengyu

研究方向