About: Convergence properties of the normal mode optimization and its combination with molecular geometry constraints

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Optimization in the normal mode coordinates is extended with the aid of harmonic penalty functions to allow for multiple restraints of geometry parameters. Optimization in the normal mode coordinates is extended with the aid of harmonic penalty functions to allow for multiple restraints of geometry parameters. (en) Byla navržena nová metodologie optimalizací molekulárních geometrií vhodná pro modelování ve vibrační spektroskopii. (cs)
Title	Convergence properties of the normal mode optimization and its combination with molecular geometry constraints Convergence properties of the normal mode optimization and its combination with molecular geometry constraints (en) Konvergenční vlastnosti optimalizace v normálních modech a spojení s optimalizacemi vnitřních souřadnic (cs)
skos:prefLabel	Convergence properties of the normal mode optimization and its combination with molecular geometry constraints Convergence properties of the normal mode optimization and its combination with molecular geometry constraints (en) Konvergenční vlastnosti optimalizace v normálních modech a spojení s optimalizacemi vnitřních souřadnic (cs)
skos:notation	RIV/61388963:_____/05:00023584!RIV06-AV0-61388963
http://linked.open.../vavai/riv/strany	1315;1340
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4055104), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Bouř, Petr
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	516403
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/05:00023584
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	vibrational spectroscopy; normal modes; molecular optimization (en)
http://linked.open.../riv/klicoveSlovo	vibrational spectroscopy normal modes molecular optimization
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[A00B75B72D70]
http://linked.open...i/riv/nazevZdroje	Collection of Czechoslovak Chemical Communications
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	1 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular Structural Studies with Circular-Dichroic and NMR Spectra
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	70
http://linked.open...iv/tvurceVysledku	Bouř, Petr
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0010-0765
number of pages	26 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Convergence properties of the normal mode optimization and its combination with molecular geometry constraints

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