Hilaire Chevreau, Ph.D. - Publications

Affiliations: 
Chemistry Université Pierre et Marie Curie, Paris, Île-de-France, France 
Area:
Theoretical Chemistry

14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Fourré I, Rosset L, Chevreau H, Ellinger Y. About the detection of urea in the interstellar medium: the energetic aspect Astronomy & Astrophysics. 589: A18. DOI: 10.1051/0004-6361/201527537  0.348
2008 Wang H, Stalnaker J, Chevreau H, Lewis JP. Potential of mean force calculations using ab initio tight-binding molecular dynamics: Application to N-NO2 bond dissociation in DMNA and HMX Chemical Physics Letters. 457: 26-30. DOI: 10.1016/J.Cplett.2008.03.064  0.576
2007 Chaquin P, Chevreau H. 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 International Journal of Quantum Chemistry. 107: 72-80. DOI: 10.1002/Qua.21020  0.533
2005 Soler P, Bergès J, Fuster F, Chevreau H. Dynamical hydrogen-induced electronic relocalization in S2H 2 and S2H2 - Chemical Physics Letters. 411: 117-120. DOI: 10.1016/J.Cplett.2005.06.015  0.402
2004 Soler P, Fuster F, Chevreau H. Fast topological analysis of 2D and 3D grids of data: application to the atoms in molecule (AIM) and the electron localization function (ELF). Journal of Computational Chemistry. 25: 1920-5. PMID 15389749 DOI: 10.1002/Jcc.20102  0.41
2004 Fuster F, Dézarnaud-Dandine C, Chevreau H, Sevin A. 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 Physical Chemistry Chemical Physics. 6: 3228-3234. DOI: 10.1039/B401310G  0.621
2004 Chevreau H. Time dependent topological analysis of the electron density in the allyl radical Chemical Physics Letters. 400: 59-61. DOI: 10.1016/J.Cplett.2004.10.084  0.417
2003 Chevreau H, Martinsky C, Sevin A, Minot C, Silvi B. The nature of the chemical bonding in the D3h and C2v isomers of Fe3(CO)12 New Journal of Chemistry. 27: 1049-1053. DOI: 10.1039/B212162J  0.587
2002 Fourré I, Silvi B, Sevin A, Chevreau H. Topological characterization of three-electron-bonded radical anions Journal of Physical Chemistry A. 106: 2561-2571. DOI: 10.1021/Jp013054J  0.641
2001 Chevreau H, Gardebien F, Dézarnaud-Dandine C, Sevin A. On the potential catalytic role of electron capture in gas-phase condensation reactions: a theoretical exploratory study of the CH2O2 and CH3ON systems. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 2: 583-90. PMID 23686875 DOI: 10.1002/1439-7641(20011015)2:10<583::Aid-Cphc583>3.0.Co;2-7  0.6
2000 Chevreau H, Boullant E, Dézarnaud-Dandine C, Sevin A. A theoretical exploratory study of low-energy (1-2 eV) electron catalysis in the CO2 + H2 → HCOOH gas phase process Chemical Physics. 254: 99-108. DOI: 10.1016/S0301-0104(00)00016-1  0.623
2000 Chevreau H, Sevin A. An electron localization function study of the strain energy in carbon compounds Chemical Physics Letters. 322: 9-14. DOI: 10.1016/S0009-2614(00)00335-3  0.593
1998 Dézarnaud-Dandine C, Chevreau H, Sevin A. 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) Journal of Molecular Structure: Theochem. 424: 67-76. DOI: 10.1016/S0166-1280(97)00231-5  0.592
1996 Sevin A, Chevreau H, Dézarnaud-Dandine C. 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) Journal of Molecular Structure: Theochem. 371: 69-78. DOI: 10.1016/S0166-1280(96)04740-9  0.608
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