Revue de l'Institut Français du Pétrole

Open Access

From Atoms to Large Chemical Systems with Computational Chemistry. Synthesis on Theoretical Methods and Computational Techniques p. 19

E. Clementi and G. Corongiu

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996001

Open Access

Theoretical Catalysis p. 39

R. A. Van Santen

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996002

Open Access

Support Effect in V2o5 / Tio2 Partial Oxidation Catalysts p. 43

M. A. Perrin, P. Nortier, D. C. Sayle, A. R. George and C. R. A. Catlow

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996003

Open Access

Évaluation précise des acidités au niveau DFT : application aux catalyseurs solides superacides p. 49

H. Toulhoat and S. Clemendot

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996004

Open Access

Molecular Simulation of Fluid Phase Equilibria and Adsorption p. 59

K. E. Gubbins

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996005

Open Access

Molecular Simulations of Adsorption: from Argon to Long Chain Paraffins p. 73

B. Smit

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996006

Open Access

Applications of Molecular Modeling in the Study of Small Molecules (N2, O2, Rare Gas) Interactions with Complex Molecular Systems Like Zeolites and Macrocycles p. 81

C. Mellot, J. Lignieres, P. Pullumbi and R. Guilard

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996007

Open Access

Propriétés de transport en phase liquide : une approche par simulation numérique de la dynamique moléculaire p. 97

J. P. Simon, A. H. Fuchs and B. Rousseau

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996008

Open Access

Adsorption of Paraxylene in Nay Zeolite: Localisation of Molecules, Interaction Energies and Diffusion Properties p. 105

G. Schrimpf, B. Tavitian and D. Espinat

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996009

Open Access

Modeling of Uv Oligomers Properties p. 117

E. Pezron and B. Magny

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996010

Open Access

Calculs empiriques de déplacements chimiques RMN 13C de polymères par régression multilinéaire et modélisation moléculaire p. 125

P. S. Da Silva Pinto, R. P. Eustache, M. Audenaert and J. M. Bernassau

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996011

Open Access

Predicting and Understanding the Elastic Properties of Polymers Using Atomistic Simulation p. 131

M. M. Zehnder, A. A. Gusev and U. W. Suter

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996012

Open Access

Old and New Phases in Complex Liquids p. 141

D. Frenkel

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996013

Open Access

Semi-Quantitative Study of Chelating Agents Suitable for Removal of Scale p. 151

V. Bakken and K. Schoffel

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996014

Open Access

Modélisation moléculaire d'asphaltènes de l'huile de Boscan p. 161

I. Kowalewski, M. Vandenbroucke, F. Behar, A. Y. Huc and J. L. Faulon

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996015

Open Access

Copper Corrosion Mechanisms of Organopolysulfides p. 171

J. Harris, X. P. Li and A. M. Chaka

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996016

Open Access

Present and Future Role of Molecular Modeling Techniques in Industrial Research and Development p. 185

H. Toulhoat

Published online: 01 November 2006

DOI: https://doi.org/10.2516/ogst:1996017