Application of CNDO/II to some hydrogen-bonded systems

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

John A. Pople, D. P. Santry, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.7K citations

Natural Sciences, Chemistry, Physics +13

Advances in quantum chemistry

T J.W. · Journal of Molecular Structure · 1976 · 408 citations

Natural Sciences, Chemistry, Physics +12

Atomic parameters for semi-empirical SCF-LCAO-MO calculations

J. M. Sichel, M. A. Whitehead · Theoretical Chemistry Accounts · 1967 · 168 citations

Natural Sciences, Chemistry, Physics +13

Correlations among Electronic Transitions for Carbonyl and for Carboxyl in the Vacuum Ultraviolet

Edwin E. Barnes, William T. Simpson · The Journal of Chemical Physics · 1963 · 160 citations

Natural Sciences, Chemistry, Organic Chemistry +15

461. The crystal structures of the acid salts of some monobasic acids. Part X. Potassium, rubidium, and cæsium hydrogen di-trifluoroacetates

L. Golič, J. C. Speakman · Journal of the Chemical Society (Resumed) · 1965 · 35 citations

Natural Sciences, Biochemistry, Chemistry +13