Empirical corrections of SCF geometries with special examples from 4-21G calculations

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

Natural Sciences, Chemistry, Physics +11

MTP international review of science

Douglas Brown · Journal of Inorganic and Nuclear Chemistry · 1973 · 760 citations

Education, Science Education, Science Policy +5

Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model

Klaus Ruedenberg, Michael Schmidt, Mary Gilbert et al. · Chemical Physics · 1982 · 516 citations

Natural Sciences, Chemistry, Physics +16

Average structures of butadiene, acrolein, and glyoxal determined by gas electron diffraction and spectroscopy

Kozo Kuchttsu, Tsutomu Fükuyama, Yonezo Morino · Journal of Molecular Structure · 1968 · 408 citations

Natural Sciences, Chemistry, Materials Science +14

Molecular structure of benzene

Koichi Tamagawa, Takao Iijima, Masao Kimura · Journal of Molecular Structure · 1976 · 360 citations

Natural Sciences, Chemistry, Organic Chemistry +9