Full‐dimensional quantum mechanical calculation of the rate constant for the H2+OH→H2O+H reaction
暂无分享,去创建一个
[1] D. Colbert,et al. A novel discrete variable representation for quantum mechanical reactive scattering via the S-matrix Kohn method , 1992 .
[2] R. Zare,et al. Integral rate constant measurements of the reaction H +D2O → HD(v′, j′)+OD , 1993 .
[3] K. Kleinermanns,et al. H + H2O→OH + H2: absolute reaction cross sections and OH state distributions , 1992 .
[4] W. Miller,et al. Calculation of the cumulative reaction probability via a discrete variable representation with absorbing boundary conditions , 1992 .
[5] G. Schatz,et al. An abinitio calculation of the rate constant for the OH+H2→H2O+H reaction , 1980 .
[6] D. O. Harris,et al. Calculation of Matrix Elements for One‐Dimensional Quantum‐Mechanical Problems and the Application to Anharmonic Oscillators , 1965 .
[7] D. Truhlar. Potential Energy Surfaces and Dynamics Calculations , 1981 .
[8] D. Clary. Quantum scattering calculations on the OH+H2(v=0,1), OH+D2, and OD+H2 reactions , 1992 .
[9] Thom H. Dunning,et al. A theoretical study of the potential energy surface for OH+H2 , 1980 .
[10] K. Takayanagi. On the Inelastic Collision between Molecules, II Rotational Transition of H2-molecule in the Collision with another H2-molecule , 1952 .
[11] A. D. Isaacson. Global potential energy surfaces from limited ab initio data , 1992 .
[12] George C. Schatz,et al. A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction , 1980 .
[13] J. Bowman,et al. Mode selectivity in reactions of H with HOD(100), HOD(001), and HOD(002) , 1992 .
[14] A. Ravishankara,et al. Kinetic study of the reaction of hydroxyl with hydrogen and deuterium from 250 to 1050 K , 1981 .
[15] R. Friedman,et al. Control of chemical reactivity by quantized transition states , 1992 .
[16] Donald G. Truhlar,et al. Polyatomic canonical variational theory for chemical reaction rates. Separable‐mode formalism with application to OH+H2→H2O+H , 1982 .
[17] G. A. Parker,et al. The discrete variable–finite basis approach to quantum scattering , 1986 .
[18] Y. Saad,et al. GMRES: a generalized minimal residual algorithm for solving nonsymmetric linear systems , 1986 .
[19] Joel M. Bowman,et al. Reduced dimensionality theory of quantum reactive scattering , 1991 .
[20] F. Fleming Crim,et al. Bond-selected bimolecular chemistry : H + HOD(4νOH)→OD + H2 , 1990 .
[21] William H. Miller,et al. The cumulative reaction probability as eigenvalue problem , 1993 .