화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Molecular dynamics simulation of fluid sodium
Hasheminasab F, Mehdipour N
Fluid Phase Equilibria, 427, 161, 2016
2 New inversion and ab initio intermolecular potentials for supercritical fluorine: Calculation of some properties and MD simulation
Salemi S, Abbaspour M, Ghabdian M
Journal of Supercritical Fluids, 89, 119, 2014
3 Some thermodynamic properties of fluids SF6, SF6-Ar, and SF6-Kr using new HFD-like potentials including three-body interactions: The inversion method and molecular dynamics simulation
Abbaspour M, Borj SN
Fluid Phase Equilibria, 333, 1, 2012
4 Computation of some thermodynamic properties of helium-neon and helium-krypton fluid mixtures using molecular dynamics simulation
Abbaspour M, Goharshadi EK, Jorabchi MN
Fluid Phase Equilibria, 291(2), 117, 2010
5 Determination of potential energy function of methane via the inversion of reduced viscosity collision integrals at zero pressure
Goharshadi EK, Abbaspour M
Fluid Phase Equilibria, 212(1-2), 53, 2003
6 Does N-2(-) exist? A coupled-cluster study
Gutsev GL, Rozyczko PB, Bartlett RJ, Weatherford CA
Journal of Chemical Physics, 110(11), 5137, 1999
7 Analytical rate expression for association reactions with classical rocking motions : Application to CH3 recombination
Pacey PD
Journal of Physical Chemistry A, 102(44), 8541, 1998
8 Molecular crystal structure of acetylacetone at 210 and 110 K : Is the crystal disorder static or dynamic?
Boese R, Antipin MY, Blaser D, Lyssenko KA
Journal of Physical Chemistry B, 102(44), 8654, 1998
9 Statistical Anharmonic Unimolecular Rate Constants for the Dissociation of Fluxional Molecules - Application to Aluminum Clusters
Peslherbe GH, Hase WL
Journal of Chemical Physics, 105(17), 7432, 1996
10 Monte-Carlo Simulations of Ne, Ar, Kr, and Xe Encapsulated in Cs3Na9-A Zeolite
Kim JS, Jeong RH, Park SH, Ahn BJ, No KT
Journal of Physical Chemistry, 100(18), 7586, 1996