화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Variational reaction path algorithm
Fast PL, Truhlar DG
Journal of Chemical Physics, 109(10), 3721, 1998
2 The calculation of kinetic isotope effects based on a single reaction path
Fast PL, Corchado JC, Truhar DG
Journal of Chemical Physics, 109(15), 6237, 1998
3 Reaction-Path Dynamics in Curvilinear Internal Coordinates Including Torsions
Nguyen KA, Jackels CF, Truhlar DG
Journal of Chemical Physics, 104(17), 6491, 1996
4 A New Potential-Energy Surface for H2Br and Its Use to Calculate Branching Ratios and Kinetic Isotope Effects for the H+hbr Reaction
Lynch GC, Truhlar DG, Brown FB, Zhao JG
Journal of Physical Chemistry, 99(1), 207, 1995
5 Deuterium Kinetic Isotope Effects and Their Temperature-Dependence in the Gas-Phase S(N)2 Reactions X(-)+ch3Y-)CH(3)X+y- (X, Y=cl, Br, I)
Hu WP, Truhlar DG
Journal of the American Chemical Society, 117(43), 10726, 1995