H. Chevreau

发表

Toward a Separate Reproduction of the Contributions to the Hartree-Fock and DFT Intermolecular Interaction Energies by Polarizable Molecular Mechanics with the SIBFA Potential.

Nohad Gresh, Jean-Philip Piquemal, N. Gresh, 2007, Journal of chemical theory and computation.

A theoretical study of the bonding in NO, (NO)2, (NO)2− and (NO)22− using a topological analysis of the electron localization function

H. Chevreau, A. Sevin, F. Fuster, 2004 .

The nature of the chemical bonding in the D3h and C2v isomers of Fe3(CO)12

B. Silvi, H. Chevreau, C. Minot, 2003 .

Theoretical exploratory study of the strong conformational and diastereotopic effects found in the vertical anion of α-halogen-substituted open-chain and three-membered ring compounds bearing a heteroatom (N, O, P)

H. Chevreau, A. Sevin, C. Dézarnaud-Dandine, 1998 .

A theoretical study of the formation of stable anion intermediates via electron capture by heterosubstituted three membered ring XCH2CY2 compounds (X = O, S, NH, PH; Y = H, F)

H. Chevreau, A. Sevin, C. Dézarnaud-Dandine, 1996 .

Theoretical study of one-electron bonds in a series of high-spin lithium–beryllium–hydrogen clusters: “Valence shell single-electron repulsion” rule and electron localization function analysis

H. Chevreau, P. Chaquin, 2007 .

On the potential catalytic role of electron capture in gas-phase condensation reactions: a theoretical exploratory study of the CH2O2 and CH3ON systems.

H. Chevreau, A. Sevin, F. Gardebien, 2001, Chemphyschem : a European journal of chemical physics and physical chemistry.

A theoretical exploratory study of low-energy (1–2 eV) electron catalysis in the gas phase process

H. Chevreau, A. Sevin, C. Dézarnaud-Dandine, 2000 .

Recent Tomographic Imaging Developments at the PSICHE Beamline

M. Scheel, T. Weitkamp, A. King, 2019, Integrating Materials and Manufacturing Innovation.

About the detection of urea in the interstellar medium: the energetic aspect

H. Chevreau, I. Fourré, Y. Ellinger, 2016 .

Exploratory study of the electron-density relocalization process in benzene through a time-dependent topological analysis.

H. Chevreau, 2005, The Journal of chemical physics.

Potential of mean force calculations using ab initio tight-binding molecular dynamics: Application to N–NO2 bond dissociation in DMNA and HMX

James P. Lewis, H. Chevreau, Hong Wang, 2008 .

Promising insights in parallel grid‐based algorithms for quantum chemical topology

H. Chevreau, J. Pilmé, 2023, Journal of Computational Chemistry.

Fast topological analysis of 2D and 3D grids of data: Application to the atoms in molecule (AIM) and the electron localization function (ELF)

H. Chevreau, F. Fuster, Philippe Soler, 2004, J. Comput. Chem..

Charge Density Analysis of Triplet and Broken Symmetry States Relevant to Magnetic Coupling in Systems with Localized Spin Moments

F. Illas, I. P. R. Moreira, B. Silvi, 2001 .

A Theoretical Study of the Bonding in NO, (NO)2, (NO)-2 and (NO)2-2 Using a Topological Analysis of the Electron Localization Function.

H. Chevreau, F. Fuster, C. Dézarnaud-Dandine, 2004 .

Dynamical hydrogen-induced electronic relocalization in S2H2 and S2H2-

J. Bergès, H. Chevreau, F. Fuster, 2005 .