About: Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model

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About: Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In this paper, the relationship between static vibrational and electronic hyperpolarizabilities of a series of push–pull molecules within the two-state valence-bond charge-transfer model are reinvestigated computationally at the Møller–Plesset level of theory. In this paper, the relationship between static vibrational and electronic hyperpolarizabilities of a series of push–pull molecules within the two-state valence-bond charge-transfer model are reinvestigated computationally at the Møller–Plesset level of theory. (en) V článku jsou teoreticky prostudovány vztahy statických vibračních a elektronových hyperpolarizabilit série push–pull molekul v rámci dvoustavového VB–CT modelu na úrovni Møllerovy–Plessetovy metody. Srovnání ab initio výsledků a výsledků VB–CT modelu ukazuje na malou spolehlivost dvoustavového modelu. (cs)
Title	Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model Výpočetní studie vztahu mezi elektronovou a vibrační polarizabilitou v rámci dvoustavového VB–CT modelu (cs) Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model (en)
skos:prefLabel	Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model Výpočetní studie vztahu mezi elektronovou a vibrační polarizabilitou v rámci dvoustavového VB–CT modelu (cs) Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model (en)
skos:notation	RIV/61389013:_____/07:00098552!RIV08-AV0-61389013
http://linked.open.../vavai/riv/strany	77;80
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika	1-3
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Toman, 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 makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	414606
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/07:00098552
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	polarizability; first hyperpolarizability; second hyperpolarizability; nonlinear optical properties (en)
http://linked.open.../riv/klicoveSlovo	nonlinear optical properties first hyperpolarizability second hyperpolarizability polarizability
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[B2A2D1568C7D]
http://linked.open...i/riv/nazevZdroje	Chemical Physics
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	337
http://linked.open...iv/tvurceVysledku	Toman, Petr Bartkowiak, W. Leszczynski, J. Zalesny, R.
http://linked.open...n/vavai/riv/zamer	Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie
issn	0301-0104
number of pages	4 (xsd:int)

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