共 3 条
- [1] DIRECT DYNAMICS CALCULATION OF THE KINETIC ISOTOPE EFFECT FOR AN ORGANIC HYDROGEN-TRANSFER REACTION, INCLUDING CORNER-CUTTING TUNNELING IN 21 DIMENSIONSJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (17) : 7806 - 7817LIU, YPLU, DHGONZALEZLAFONT, ATRUHLAR, DGGARRETT, BC
- [2] Dynamics and kinetic isotope effect for the double proton transfer in formamidine monohydrated complex using direct semiempirical dynamics calculationJOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (18): : 3025 - 3036Kim, Y
- [3] High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogenJOURNAL OF CHEMICAL PHYSICS, 2011, 134 (09):Meana-Paneda, RubenTruhlar, Donald G.Fernandez-Ramos, Antonio