0194406 - UOCHB-X 20020072 RIV US eng J - Journal Article
Bouř, Petr - Keiderling, T. A.
Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra.
Journal of Chemical Physics. Roč. 117, č. 9 (2002), s. 4126-4132. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA AV ČR IAA4055104; GA ČR GA203/01/0031
Institutional research plan: CEZ:AV0Z4055905
Keywords : vibrational spectra
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.998, year: 2002

A normal mode coordinate-based molecular optimization algorithm was implemented.
Permanent Link: http://hdl.handle.net/11104/0090081