CHBC Faculty Publications

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Author: Fogarasi, Géza

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TitlePublication NamePub. TypeYear
An efficient direct method for geometry optimization of large molecules in internal coordinatesJournal of Chemical PhysicsJournal Article1998
Building a Database of Force-Constants Based on Scaled Ab-Initio (Sqm) Results .1. ChlorobenzenesSpectrochimica Acta, Part A-Molecular and Biomolecular SpectroscopyJournal Article1993
Geometry Optimization in Redundant Internal CoordinatesJournal of Chemical PhysicsJournal Article1992
The Calculation of Abinitio Molecular Geometries - Efficient Optimization by Natural Internal Coordinates and Empirical Correction by Offset ForcesJournal of the American Chemical SocietyJournal Article1992
Abinitio Prediction of Vibrational-Spectra - a Database ApproachVibrational SpectroscopyJournal Article1990