Results 161 to 166 of about 36,506 (166)

A unified scheme forab initiomolecular orbital theory and path integral molecular dynamics

Journal of Chemical Physics, 2001
Motoyuki Shiga, Masanori Tachikawa, Shinichi Miura   +2 more
exaly  

Molecular Orbital Theory and Experimentally Determined Energy-levels

Nature, 1963
exaly  

Ab initio molecular orbital theory

Accounts of Chemical Research, 1976
exaly  

Absolute electronegativity and hardness correlated with molecular orbital theory

Proceedings of the National Academy of Sciences of the United States of America, 1986
exaly  

Conformational analysis of some alcohols and amines: a comparison of molecular orbital theory, rotational and vibrational spectroscopy

Chemical Society Reviews, 1976
exaly  

Accuracy of AHnequilibrium geometries by single determinant molecular orbital theory

Molecular Physics, 1974
exaly