화학공학소재연구정보센터
검색결과 : 28건
No. Article
1 Ab Initio Water Pair Potential with Flexible Monomers
Jankowski P, Murdachaew G, Bukowski R, Akin-Ojo O, Leforestier C, Szalewicz K
Journal of Physical Chemistry A, 119(12), 2940, 2015
2 Towards the complete understanding of water by a first-principles computational approach
Szalewicz K, Leforestier C, van der Avoird A
Chemical Physics Letters, 482(1-3), 1, 2009
3 Vibration-Rotation-Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers
Leforestier C, van Harrevelt R, van der Avoird A
Journal of Physical Chemistry A, 113(44), 12285, 2009
4 Water dimers in the atmosphere III: Equilibrium constant from a flexible potential
Scribano Y, Goldman N, Saykally RJ, Leforestier C
Journal of Physical Chemistry A, 110(16), 5411, 2006
5 Water dimers in the atmosphere II: Results from the VRT(ASP-W)III potential surface
Goldman N, Leforestier C, Saykally RJ
Journal of Physical Chemistry A, 108(5), 787, 2004
6 Water dimer hydrogen bond stretch, donor torsion overtone, and "in-plane bend" vibrations
Keutsch FN, Braly LB, Brown MG, Harker HA, Petersen PB, Leforestier C, Saykally RJ
Journal of Chemical Physics, 119(17), 8927, 2003
7 Calculation of highly excited vibrational levels: a prediagonalized Davidson scheme
Ribeiro F, Iung C, Leforestier C
Chemical Physics Letters, 362(3-4), 199, 2002
8 Spectroscopic determination of the water dimer intermolecular potential-energy surface
Goldman N, Fellers RS, Brown MG, Braly LB, Keoshian CJ, Leforestier C, Saykally RJ
Journal of Chemical Physics, 116(23), 10148, 2002
9 Determination of a flexible (12D) water dimer potential via direct inversion of spectroscopic data
Leforestier C, Gatti F, Fellers RS, Saykally RJ
Journal of Chemical Physics, 117(19), 8710, 2002
10 The role of rotation in the calculated ultraviolet photodissociation spectrum of ozone
Alacid M, Leforestier C
Journal of Chemical Physics, 114(4), 1685, 2001