A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation
暂无分享,去创建一个
[1] P. Kollman,et al. Theory of the Hydrogen Bond: Ab Initio Calculations on Hydrogen Fluoride Dimer and the Mixed Water–Hydrogen Fluoride Dimer , 1970 .
[2] K. Fukui,et al. An MO-theoretical Interpretation of the Nature of Chemical Reactions. I. Partitioning Analysis of the Interaction Energy , 1968 .
[3] Keiji Morokuma,et al. Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O , 1971 .
[4] K. Morokuma,et al. Molecular orbital studies of hydrogen bonds. VI. Origin of red shift of .pi.-.pi.* transitions. trans-Acrolein-water complex , 1975 .
[5] M. Randic,et al. The theory of intermolecular forces in the region of small orbital overlap , 1965, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[6] M. Basilevsky,et al. SCF perturbation theory and intermolecular interactions , 1972 .
[7] K. Morokuma,et al. Molecular orbital studies of hydrogen bonds. V. Analysis of the hydrogen-bond energy between lower excited states of formaldehyde and water , 1973 .
[8] K. Fukui,et al. Molecular orbital calculations of the electronic structure of borazane , 1974 .
[9] A. Lesk. Lower bound to the long‐range interaction energy of two identical rare gas atoms in the restricted Hartree‐Fock approximation , 1973 .
[10] Peter A. Kollman,et al. Theory of the hydrogen bond , 1972 .
[11] K. Morokuma,et al. Molecular‐Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O , 1968 .
[12] K. Morokuma,et al. Molecular orbital studies of electron donor-acceptor complexes. I. Carbonyl cyanide-ROR and tetracyanoethylene-ROR complexes , 1975 .
[13] K. Morokuma,et al. Molecular Interactions in Ground and Excited States , 1974 .
[14] K. Morokuma,et al. Molecular orbital studies of hydrogen bonds. IX. Electron distribution analysis , 1975 .
[15] P. Claverie,et al. Perturbative ab initio calculations of intermolecular energies. I. Method , 1974 .