Solvatochromatic shifts studied by multi-configuration self-consistent reaction field theory. Application to azabenzenes

Electric Moments of Molecules in Liquids

Lars Onsager · Journal of the American Chemical Society · 1936 · 5.3K citations

Natural Sciences, Chemistry, Electrochemistry +8

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

Natural Sciences, Chemistry, Physics +15

Characterization of electronic transitions in complex molecules

Michael Kasha · Discussions of the Faraday Society · 1950 · 2.8K citations

Natural Sciences, Chemistry, Physics +15

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1971 · 2.2K citations

Natural Sciences, Chemistry, Physics +16

Theory of Solvent Effects on Molecular Electronic Spectra. Frequency Shifts

Eion G. McRae · The Journal of Physical Chemistry · 1957 · 1.1K citations

Natural Sciences, Chemistry, Physics +12