화학공학소재연구정보센터
검색결과 : 21건
No. Article
1 The Ice-Vapor Interface and the Melting Point of Ice I-h for the Polarizable POL3 Water Model
Muchova E, Gladich I, Picaud S, Hoang PNM, Roeselova M
Journal of Physical Chemistry A, 115(23), 5973, 2011
2 Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation
Petitjean M, Hantal G, Chauvin C, Mirabel P, Le Calve S, Hoang PNM, Picaud S, Jedlovszky P
Langmuir, 26(12), 9596, 2010
3 A possible mechanism for pressure reversal of general anaesthetics from molecular simulations
Chau PL, Hoang PNM, Picaud S, Jedlovszky P
Chemical Physics Letters, 438(4-6), 294, 2007
4 Molecular dynamics simulation study of water adsorption on hydroxylated graphite surfaces
Picaud S, Collignon B, Hoang PNM, Rayez JC
Journal of Physical Chemistry B, 110(16), 8398, 2006
5 Determination of the adsorption isotherm of methanol on the surface of ice. An experimental and Grand Canonical Monte Carlo simulation study
Jedlovszky P, Partay L, Hoang PNM, Picaud S, von Hessberg P, Crowley JN
Journal of the American Chemical Society, 128(47), 15300, 2006
6 Ab initio study of the water adsorption on hydroxylated graphite surfaces
Collignon B, Hoang PNM, Picaud S, Rayez JC
Chemical Physics Letters, 406(4-6), 430, 2005
7 Theoretical study of the adsorption of water on a model soot surface: I. Quantum chemical calculations
Hamad S, Mejias JA, Lago S, Picaud S, Hoang PNM
Journal of Physical Chemistry B, 108(17), 5405, 2004
8 Theoretical study of the adsorption of water on a model soot surface: II. Molecular dynamics simulations
Picaud S, Hoang PNM, Hamad S, Mejias JA, Lago S
Journal of Physical Chemistry B, 108(17), 5410, 2004
9 Experimental and theoretical adsorption study of ethanol on ice surfaces
Peybernes N, Le Calve S, Mirabel P, Picaud S, Hoang PNM
Journal of Physical Chemistry B, 108(45), 17425, 2004
10 Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times
Toubin C, Picaud S, Hoang PNM, Girardet C, Lynden-Bell RM, Hynes JT
Journal of Chemical Physics, 118(21), 9814, 2003