A new algorithm of Boundary-Driven type Non-Equilibrium molecular dynamics for simulating membrane permeation of gas mixturesFURUKAWA, Shin-Ichi; NITTA, Tomoshige.Journal of chemical engineering of Japan. 2005, Vol 38, Num 4, pp 278-282, issn 0021-9592, 5 p.Article

A study of permeation of n-butane through ZSM-5 membrane by using Monte carlo and equilibrium/non-equilibrium molecular dynamics simulationsFURUKAWA, Shin-Ichi; NITTA, Tomoshige.Journal of chemical engineering of Japan. 2003, Vol 36, Num 3, pp 313-321, issn 0021-9592, 9 p.Article

Monte Carlo simulation studies on adsorption of propane/propylene in NaX zeoliteZHANG, Yi; FURUKAWA, Shin-Ichi; NITTA, Tomoshige et al.Journal of chemical engineering of Japan. 2004, Vol 37, Num 4, pp 563-567, issn 0021-9592, 5 p.Article

Molecular simulation studies on adsorption of propane/propylene in NaA zeolite by using a Monte Carlo techniqueYI ZHANG; FURUKAWA, Shin-Ichi; NITTA, Tomoshige et al.Journal of chemical engineering of Japan. 2003, Vol 36, Num 9, pp 1085-1094, issn 0021-9592, 10 p.Article

Molecular dynamics studies on clustering process of solute molecules through rapid expansion of supercritical fluidsFURUKAWA, Shin-Ichi; KATO, Satoshi; NITTA, Tomoshige et al.Fluid phase equilibria. 2004, Vol 219, Num 1, pp 33-36, issn 0378-3812, 4 p.Conference Paper

Computer simulation studies on gas permeation of propane and propylene across ZSM-5 membranes by a non-equilibrium molecular dynamics techniqueYI ZHANG; FURUKAWA, Shin-Ichi; NITTA, Tomoshige et al.Separation and purification technology. 2003, Vol 32, Num 1-3, pp 215-221, issn 1383-5866, 7 p.Conference Paper

Exciton dynamics in nanostar dendritic systems using a quantum master equation approach: core monomer effects and possibility of energy transport controlNAKANO, Masayoshi; KISHI, Ryohei; TAKAHATA, Masahiro et al.Journal of luminescence. 2005, Vol 111, Num 4, pp 359-366, issn 0022-2313, 8 p.Article

A molecular simulation study on adsorption of acetone/water in mesoporous silicas modified by pore surface silylationFURUKAWA, Shin-Ichi; NISHIUMI, Toshihiro; AOYAMA, Naoki et al.Journal of chemical engineering of Japan. 2005, Vol 38, Num 12, pp 999-1007, issn 0021-9592, 9 p.Article

Theoretical study on the second hyperpolarizabilities of tetrathiafulvalene (TTF) and tetrathiapentalene (TTP) using highly correlated ab initio MO and the density functional theory methodsYAMADA, Satoru; NAKANO, Masayoshi; KISHI, Ryohei et al.Synthetic metals. 2006, Vol 156, Num 5-6, pp 375-378, issn 0379-6779, 4 p.Article

Non-equilibrium molecular dynamics simulation study on permeation phenomena of LJ particles in slit-shaped membranes with periodic belt-like heterogeneous surfacesYONEMORI, Ken-Ichiro; TAKITANI, Atsushi; FURUKAWA, Shin-Ichi et al.Fluid phase equilibria. 2007, Vol 257, Num 2, pp 190-194, issn 0378-3812, 5 p.Conference Paper

Simulation for separation of hydrogen and carbon monoxide by adsorption on single-walled carbon nanotubesCHONG GU; GAO, Guang-Hua; YU, Yang-Xin et al.Fluid phase equilibria. 2002, Vol 194-97, pp 297-307, issn 0378-3812Conference Paper