화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Theoretical-Study of Bifurcating Reaction Paths
Yanai T, Taketsugu T, Hirao K
Journal of Chemical Physics, 107(4), 1137, 1997
2 Gradient Line Reaction Paths for Hindered Internal-Rotation in H2Bnh2 and Inversion in Pf3
Minyaev RM, Wales DJ, Walsh TR
Journal of Physical Chemistry A, 101(7), 1384, 1997
3 Reaction-Path Hamiltonian Based on a Reaction Coordinate and a Curvature Coordinate
Taketsugu T, Gordon MS
Journal of Chemical Physics, 104(8), 2834, 1996
4 Reaction-Path Dynamics in Curvilinear Internal Coordinates Including Torsions
Nguyen KA, Jackels CF, Truhlar DG
Journal of Chemical Physics, 104(17), 6491, 1996
5 Approaches to Bifurcating Reaction-Path
Taketsugu T, Tajima N, Hirao K
Journal of Chemical Physics, 105(5), 1933, 1996
6 Reaction-Path Potential and Vibrational Frequencies in Terms of Curvilinear Internal Coordinates
Jackels CF, Gu Z, Truhlar DG
Journal of Chemical Physics, 102(8), 3188, 1995
7 Locating Transition Structures by Mode Following - A Comparison of 6 Methods on the Ar-8 Lennard-Jones Potential
Jensen F
Journal of Chemical Physics, 102(17), 6706, 1995
8 Gradient Fields of Potential-Energy Surfaces
Ruedenberg K, Sun JQ
Journal of Chemical Physics, 100(8), 5836, 1994
9 Rearrangements of 55-Atom Lennard-Jones and (C-60)(55) Clusters
Wales DJ
Journal of Chemical Physics, 101(5), 3750, 1994
10 Clusters - Tools for Studying Potential Surfaces and Their Connection to Molecular-Dynamics
Berry RS
Journal of Physical Chemistry, 98(28), 6910, 1994