About: Simulation of vibrational spectra of large molecules by arbitrary time propagation

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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	A new algorithm is proposed to avoid completely the matrix diagonalization with a direct generation of the spectral shapes. A new algorithm is proposed to avoid completely the matrix diagonalization with a direct generation of the spectral shapes. (en)
Title	Simulation of vibrational spectra of large molecules by arbitrary time propagation Simulation of vibrational spectra of large molecules by arbitrary time propagation (en)
skos:prefLabel	Simulation of vibrational spectra of large molecules by arbitrary time propagation Simulation of vibrational spectra of large molecules by arbitrary time propagation (en)
skos:notation	RIV/61388963:_____/09:00326807!RIV10-AV0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/07/0732), P(GA203/06/0420), P(IAA400550702), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2010
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	341355
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/09:00326807
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	vibrational spectra; harmonic approximation; Fourier techniques (en)
http://linked.open.../riv/klicoveSlovo	vibrational spectra Fourier techniques harmonic approximation
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[0BAF91491BEE]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Theory and Computation
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Conformational flexibility of peptides in solution Conformational reorganizations in complex molecular systems Spectroscopic and theoretical methods for non-covalent molecular interactions
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	5
http://linked.open...iv/tvurceVysledku	Bouř, Petr Kubelka, J.
http://linked.open...ain/vavai/riv/wos	000262432000021
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1549-9618
number of pages	8 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Simulation of vibrational spectra of large molecules by arbitrary time propagation Simulation of vibrational spectra of large molecules by arbitrary time propagation Simulation of vibrational spectra of large molecules by arbitrary time propagation Simulation of vibrational spectra of large molecules by arbitrary time propagation

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