共 50 条
- [32] BEBO CALCULATIONS .4. ARRHENIUS PARAMETERS AND KINETIC ISOTOPE-EFFECTS FOR REACTIONS OF CH3 AND CF3 RADICALS WITH H2 AND D2 JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1975, 71 : 2431 - 2441
- [33] AB-INITIO VARIATIONAL TRANSITION-STATE THEORY CALCULATIONS FOR THE H+NH2-LESS-THAN=GREATER-THAN-H2+3NH HYDROGEN ABSTRACTION REACTION ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 210 : 237 - PHYS
- [35] REACTION PROBABILITIES, RESONANCES, AND THERMAL RATE CONSTANTS FOR THE COLLINEAR REACTIONS H+FH AND D+FD ON A LOW-BARRIER SURFACE - CLOSE-COUPLING AND TUNNELING CALCULATIONS, VARIATIONAL TRANSITION-STATE THEORY, AND THE UNIFIED STATISTICAL-MODEL JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (25): : 3806 - 3817
- [36] VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS, AND THE UNIFIED STATISTICAL-MODEL TESTED AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR COLLINEAR F+H2, H+F2, AND ISOTOPIC ANALOGS JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04): : 1721 - 1728
- [37] Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (09):
- [38] Recalibration of two earlier potential energy surfaces for the CH4+H->CH3+H-2 reaction. Application of variational transition-state theory and analysis of the kinetic isotope effects using rectilinear and curvilinear coordinates JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (41): : 16561 - 16567
- [40] Kinetics of the reaction of the heaviest hydrogen atom with H2, the 4Heμ+H2 → 4HeμH+H reaction: Experiments, accurate quantal calculations, and variational transition state theory, including kinetic isotope effects for a factor of 36.1 in isotopic mass JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (18):