Quantitative description of six-membered ring conformations following the IUPAC conformational nomenclature

General definition of ring puckering coordinates

Dieter Cremer, J. A. Pople · Journal of the American Chemical Society · 1975 · 7.2K citations

Natural Sciences, Chemistry, Analytical Chemistry +5

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

The relationship between proton-proton NMR coupling constants and substituent electronegativities—I

C. A. G. Haasnoot, Frank A.A.M. de Leeuw, C. Altona · Tetrahedron · 1980 · 2K citations

Natural Sciences, Chemistry, Medicinal Chemistry +6

The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

Géza Fogarasi, Xuefeng Zhou, Patterson W. Taylor et al. · Journal of the American Chemical Society · 1992 · 946 citations

Natural Sciences, Chemistry, Computational Chemistry +9

Description of steric relationships across single bonds

W. Klyne, V. Prelog · Cellular and Molecular Life Sciences · 1960 · 701 citations

Natural Sciences, Chemistry, Organic Chemistry +12