He(l) Photoelectron spectroscopy of transient species: The SF2 Molecule

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

Evert Jan Baerends, D. E. Ellis, P. Ros · Chemical Physics · 1973 · 3.2K citations

Natural Sciences, Chemistry, Physics +12

Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

Janet E. Del Bene, H. H. Jaffé · The Journal of Chemical Physics · 1968 · 1.3K citations

Natural Sciences, Chemistry, Quantum Chemistry +16

Perfluoro effect in photoelectron spectroscopy. II. Aromatic molecules

C. R. Brundle, M. B. Robin, N. A. Kuebler · Journal of the American Chemical Society · 1972 · 504 citations

Natural Sciences, Chemistry, Analytical Chemistry +6

467. The electronic orbitals, shapes, and spectra of polyatomic molecules. Part II. Non-hydride AB2 and BAC molecules

A. D. Walsh · Journal of the Chemical Society (Resumed) · 1953 · 415 citations

Natural Sciences, Chemistry, Physics +17

Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules

Evert Jan Baerends, P. Ros · Chemical Physics · 1973 · 406 citations

Natural Sciences, Chemistry, Physics +14