Theoretical investigation of next neighbour interactions and ring strain in linear and monocyclic phosphanes

Gauche effect. Stereochemical consequences of adjacent electron pairs and polar bonds

Saul Wolfe · Accounts of Chemical Research · 1972 · 785 citations

Natural Sciences, Chemistry, Inorganic Chemistry +7

Population analysis based on occupation numbers II. Relationship between shared electron numbers and bond energies and characterization of hypervalent contributions

Claus Ehrhardt, Reinhart Ahlrichs · Theoretical Chemistry Accounts · 1985 · 264 citations

Natural Sciences, Chemistry, Physics +17

Theoretical determination of molecular structure and conformation. 20. Reevaluation of the strain energies of cyclopropane and cyclobutane carbon-carbon and carbon-hydrogen bond energies, 1,3 interactions, and .sigma.-aromaticity

Dieter Cremer, Juergen Gauss · Journal of the American Chemical Society · 1986 · 166 citations

Natural Sciences, Chemistry, Molecular Physics +10

Implementation of an electronic structure program system on the CYBER 205

Reinhart Ahlrichs, Hans‐Joachim Böhm, Claus Ehrhardt et al. · Journal of Computational Chemistry · 1985 · 150 citations

Computing, Computer Science, High-performance Computing +6

Theoretical study of the stability of molecular P2, P4 (T.alpha.), and P8 (Oh)

Reinhart Ahlrichs, Stefan Brode, Claus Ehrhardt · Journal of the American Chemical Society · 1985 · 85 citations

Natural Sciences, Chemistry, Physics +6