A MINDO/3 approach to the chemisorption on graphite of electrophilic adsorbates
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[1] R. Dovesi,et al. Ab initio HF versus semi-empirical results of chemisorption calculations of hydrogen on graphite , 1981 .
[2] G. Hoflund,et al. Molecular orbital calculations of atomic hydrogen chemisorption on the beryllium (0001) surface , 1981 .
[3] P. Bagus,et al. Adsorption and surface penetration of atomic hydrogen at the open site of Si(111): An ab initio cluster-model study , 1981 .
[4] M. W. Ribarsky,et al. Ab initiocalculations on hydrogen-bounded silicon clusters , 1981 .
[5] A. Gavezzotti,et al. Extended Hückel calculations on the chemisorption of acetylene on tungsten , 1979 .
[6] H. Schaefer,et al. Model study in chemisorption: molecular orbital cluster theory for atomic hydrogen on be(0001) , 1978 .
[7] J. Koutecký,et al. Applicability of the extended Hückel method to a description of the electrosorption bond , 1977 .
[8] A. Hubbard,et al. Quantum mechanical description of electrode reactions , 1976 .
[9] R. Dovesi,et al. Regular chemisorption of hydrogen on graphite in the crystalline orbital NDO approximation , 1976 .
[10] A. Anderson. Structural and orbital analysis of ethylene and acetylene on Ni(111) surfaces , 1976 .
[11] A. Companion. Potential energy surfaces for the interaction of atomic and diatomic hydrogen with lithium metal clusters , 1976 .
[12] M. Hayns. Molecular orbital calculations of the chemisorption and diffusion of oxygen and water on a graphite substrate , 1975 .
[13] R. Hoffmann,et al. Molecular orbital studies of dissociative chemisorption of first period diatomic molecules and ethylene on (100) W and Ni surfaces , 1974 .
[14] L. Bartell,et al. A molecular orbital investigation of chemisorption. II. Nitrogen on tungsten (100) surface , 1973 .
[15] R. P. Messmer,et al. Orbital-Symmetry Rules for Chemisorption and Catalysis , 1972 .
[16] Richard P. Messmer,et al. Molecular Orbital Approach to Chemisorption. II. Atomic H, C, N, O, and F on Graphite , 1971 .
[17] M. Dewar,et al. Ground states of conjugated molecules. IX. Hydrocarbon radicals and radical ions , 1968 .
[18] R. K. Nesbet,et al. Self‐Consistent Orbitals for Radicals , 1954 .
[19] F. Sanz,et al. A MINDO/3 approach to the chemisorption of hydrogen on graphite☆ , 1983 .
[20] Z. Slanina,et al. Quantum chemical study of oxygen adsorption on graphite: I. Molecular orbital study of adsorption and migration of molecular oxygen on graphite , 1979 .
[21] Richard P. Messmer,et al. A molecular orbital approach to chemisorption: I. Atomic hydrogen on graphite , 1971 .
[22] N. Trinajstic,et al. Triplet states of aromatic hydrocarbons , 1970 .