Günter Häfelinger

Aromaticity: a Theoretical Concept of Immense Practical Importance

Tadeusz M. Krygowski, Michał K. Cyrański, Zbigniew Czarnocki et al. · Tetrahedron · 2000 · 535 citations

Natural Sciences, Chemistry, Organic Chemistry +12

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

Experimental Gas Phase ¹H NMR Spectra and Basis Set Dependence of ab initio GIAOMO Calculations of ¹H and ¹³C NMR Absolute Shieldings and Chemical Shifts of Small Hydrocarbons

Thomas Zuschneid, H. Fischer, Thomas Handel et al. · Zeitschrift für Naturforschung B · 2004 · 36 citations

Natural Sciences, Chemistry, Computational Chemistry +13

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