Authors:
EZZINE M
PELLEGATTI A
MINOT C
PELLENQ RJM
Citation: M. Ezzine et al., THEORETICAL-STUDY OF THE THERMOCHEMISTRY OF SULFUR MOLECULAR-CRYSTALS- I - METHOD AND APPLICATION TO ALPHA-POLYMERIZED AND 1D-POLYMERIZED SULFURS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(2), 1998, pp. 452-460
Authors:
DELVILLE A
GASMI N
PELLENQ RJM
CAILLOL JM
VANDAMME H
Citation: A. Delville et al., CORRELATIONS BETWEEN THE STABILITY OF CHARGED INTERFACES AND IONIC EXCHANGE CAPACITY - A MONTE-CARLO STUDY, Langmuir, 14(18), 1998, pp. 5077-5082
Citation: Rjm. Pellenq et D. Nicholson, A SIMPLE METHOD FOR CALCULATING DISPERSION COEFFICIENTS FOR ISOLATED AND CONDENSED-PHASE SPECIES, Molecular physics (Print), 95(3), 1998, pp. 549-570
Citation: D. Nicholson et Rjm. Pellenq, ADSORPTION IN ZEOLITES - INTERMOLECULAR INTERACTIONS AND COMPUTER-SIMULATION, Advances in colloid and interface science, 77, 1998, pp. 179-202
Citation: Rjm. Pellenq et al., ELECTROSTATIC ATTRACTION BETWEEN 2 CHARGED SURFACES - A (N,V,T) MONTE-CARLO SIMULATION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(42), 1997, pp. 8584-8594
Authors:
MORINEAU D
DOSSEH G
PELLENQ RJM
BELLISSENTFUNEL MC
ALBASIMIONESCO C
Citation: D. Morineau et al., THERMODYNAMIC AND STRUCTURAL-PROPERTIES OF FRAGILE GLASS-FORMING TOLUENE AND META-XYLENE - EXPERIMENTS AND MONTE-CARLO SIMULATIONS, Molecular simulation, 20(1-2), 1997, pp. 95-113
Citation: A. Delville et al., A MONTE-CARLO (N, V, T) STUDY OF THE STABILITY OF CHARGED INTERFACES - A SIMULATION ON A HYPERSPHERE, The Journal of chemical physics, 106(17), 1997, pp. 7275-7285
Citation: D. Nicholson et al., INTERMOLECULAR POTENTIAL FUNCTIONS FOR ADSORPTION IN ZEOLITES - STATE-OF-THE-ART AND EFFECTIVE MODELS, Molecular simulation, 17(4-6), 1996, pp. 217-238
Authors:
DOUGUET D
PELLENQ RJM
BOUTIN A
FUCHS AH
NICHOLSON D
Citation: D. Douguet et al., THE ADSORPTION OF ARGON AND NITROGEN IN SILICALITE-1 ZEOLITE - A GRAND-CANONICAL MONTE-CARLO STUDY, Molecular simulation, 17(4-6), 1996, pp. 255-288
Authors:
PELLENQ RJM
TAVITIAN B
ESPINAT D
FUCHS AH
Citation: Rjm. Pellenq et al., GRAND-CANONICAL MONTE-CARLO SIMULATIONS OF ADSORPTION OF POLAR AND NONPOLAR MOLECULES IN NAY ZEOLITE, Langmuir, 12(20), 1996, pp. 4768-4783
Authors:
CELESTINI F
PELLENQ RJM
BORDARIER P
ROUSSEAU B
Citation: F. Celestini et al., MELTING OF LENNARD-JONES CLUSTERS IN CONFINED GEOMETRIES, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 37(1), 1996, pp. 49-53
Authors:
LACHET V
BOUTIN A
PELLENQ RJM
NICHOLSON D
FUCHS AH
Citation: V. Lachet et al., MOLECULAR SIMULATION STUDY OF THE STRUCTURAL REARRANGEMENT OF METHANEADSORBED IN ALUMINOPHOSPHATE ALPO4-5, Journal of physical chemistry, 100(21), 1996, pp. 9006-9013
Citation: Rjm. Pellenq et D. Nicholson, GRAND ENSEMBLE MONTE-CARLO SIMULATION OF SIMPLE MOLECULES ADSORBED INSILICALITE-1 ZEOLITE, Langmuir, 11(5), 1995, pp. 1626-1635
Authors:
FERNANDEZALONSO F
PELLENQ RJM
NICHOLSON D
Citation: F. Fernandezalonso et al., THE ROLE OF 3-BODY INTERACTIONS IN THE ADSORPTION OF ARGON IN SILICALITE-1, Molecular physics, 86(5), 1995, pp. 1021-1030
Authors:
PELLENQ RJM
PELLEGATTI A
NICHOLSON D
MINOT C
Citation: Rjm. Pellenq et al., ADSORPTION OF ARGON IN SILICALITE - A SEMIEMPIRICAL QUANTUM-MECHANICAL STUDY OF THE REPULSIVE INTERACTION, Journal of physical chemistry, 99(25), 1995, pp. 10175-10180
Citation: Rjm. Pellenq et D. Nicholson, INTERMOLECULAR POTENTIAL FUNCTION FOR THE PHYSICAL ADSORPTION OF RARE-GASES IN SILICALITE, Journal of physical chemistry, 98(50), 1994, pp. 13339-13349
Citation: A. Boutin et al., MOLECULAR SIMULATION OF THE STEPPED ADSORPTION-ISOTHERM OF METHANE INALPO4-5, Chemical physics letters, 219(5-6), 1994, pp. 484-490