Claus Regelmann

Refined ab initio 6‐31G split‐valence basis set optimization of the molecular structures of biphenyl in twisted, planar, and perpendicular conformations

Günter Häfelinger, Claus Regelmann · Journal of Computational Chemistry · 1987 · 64 citations

Natural Sciences, Chemistry, Computational Chemistry +13

<i>Ab initio</i><scp>STO</scp>‐3G optimization of planar, perpendicular, and twisted molecular structures of biphenyl

Günter Häfelinger, Claus Regelmann · Journal of Computational Chemistry · 1985 · 47 citations

Natural Sciences, Chemistry, Physics +17

Basis set dependence, precision, and accuracy of full <i>ab initio</i> gradient optimizations of molecular structures of nonstrained hydrocarbons. I. CC bond lengths

Günter Häfelinger, Claus Regelmann, Tadeusz M. Krygowski et al. · Journal of Computational Chemistry · 1989 · 26 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Crystallographic Studies and Physicochemical Properties of π-Electron Systems, Part 7 Refinement of the Crystal and Molecular Structure of p-N,N-Dimethylaminobenzoic Acid, Full ab initio STO-3G Optimization of its Molecular Geometry, and Empirical Analysis of Substituent Effects on the Geometry of Benzene Rings in p-Substituted Benzoic Acids

R. Anulewicz, Günter Häfelinger, Tadeusz M. Krygowski et al. · Zeitschrift für Naturforschung B · 1987 · 14 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

Amidines. Part 33. Full ab initio 3-21G optimization of the molecular structures of fluoro derivatives of formamidine and their protonation products. Quantitative structure–basicity relations of amidines

Janusz Oszczapowicz, Claus Regelmann, Günter Häfelinger · Journal of the Chemical Society Perkin Transactions 2 · 1990 · 13 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17