Calculation of electrostatic potential maps and atomic charges for large molecules

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Veröffentlicht in:	Journal of chemical information and computer sciences 1993-05, Vol.33 (3), p.296-299
Hauptverfasser:	Tasi, Gyula, Palinko, Istvan, Nyerges, Levente, Fejes, Pal, Foerster, Horst
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.)
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