Élise Dumont - Dissemin

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Papers authored by Élise Dumont

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2007 Deborah L. Crittenden, Elise E. Dumont

ORCID

, Peter M. W. Gill

Intracule functional models. II. Analytically integrable kernels

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David L. Mobley, Elise Dumont

ORCID

, John D. Chodera, Ken A. Dill

Comparison of Charge Models for Fixed-Charge Force Fields: Small-Molecule Hydration Free Energies in Explicit Solvent

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E. Dumont

ORCID

, P. Chaquin

Investigation of pure inductive effects on benzene ring by 13C NMR chemical shifts: A theoretical study using fictitious nuclear charges of hydrogen atoms (‘H∗ method’)

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Elise E. Dumont

ORCID

, Deborah L. Crittenden, Peter M. W. Gill

Intracule Functional Models I. Angle-corrected correlation kernels

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2006 Elise Dumont

ORCID

, Patrick Chaquin

Diels–Alder reaction: A theoretical comprehensive study of substituent effects using the ‘H* method’

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2005 A. Schriver, L. Schriver-Mazzuoli, P. Chaquin, E. Dumont

ORCID

FTIR and ab Initio Study of the 1/1 Complex between Water and Carbon Dioxide in Solid Nitrogen

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2004 Elise Dumont

ORCID

, Patrick Chaquin

The H∗ method: hydrogen atoms with a fictitious nuclear charge. A versatile theoretical tool for study of atom and group properties as substituents: electronegativity and partition of σ and π contributions

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Konstantin Y.-U. Dorogov, Elise Dumont

ORCID

, Nam-Nhat Ho, Andrei V. Churakov, Lyudmila G. Kuzmina, Josep-Maria Poblet, Arthur J. Schultz, Judith A. K. Howard, Robert Bau, Agusti Lledos, Georgii I. Nikonov

Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides

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2003 C. Alba Simionesco, G. Dosseh, E. Dumont

ORCID

, B. Frick, B. Geil, D. Morineau, V. Teboul, Y. Xia

Confinement of molecular liquids: Consequences on thermodynamic, static and dynamical properties of benzene and toluene

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