海量图书期刊资源,随时随地畅享阅读乐趣
Additives atomares punktdipol-(APUDI)-modell zur berechnung der 1h-NMR-werte von benzoiden kohlenwasserstoffenManfred Westermayer; Günter Häfelinger; Claus Regelmann · 1984
Refined ab initio 6-31G split-valence basis set optimization of the molecular structures of biphenyl in twisted, planar, and perpendicular conformationsGünter Häfelinger; Claus Regelmann · 1987
Basis set dependence, precision, and accuracy of full ab initio gradient optimizations of molecular structures of nonstrained hydrocarbons. I. CC bond lengthsGünter Häfelinger; Claus Ulrich Regelmann; Tadeusz Marek Krygowski; Krzysztof Wozniak · 1989