About: Efficient Modeling of NMR Parameters in Carbon Nanosystems

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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	Extensive DFT calculations using the B3LYP and VSXC density functionals and recently modified STO-3Gel and STO- 3Gmag basis sets supported their potential use in theoretical works leading to predicting structural and NMR properties of model SWCNT systems. Extensive DFT calculations using the B3LYP and VSXC density functionals and recently modified STO-3Gel and STO- 3Gmag basis sets supported their potential use in theoretical works leading to predicting structural and NMR properties of model SWCNT systems. (en)
Title	Efficient Modeling of NMR Parameters in Carbon Nanosystems Efficient Modeling of NMR Parameters in Carbon Nanosystems (en)
skos:prefLabel	Efficient Modeling of NMR Parameters in Carbon Nanosystems Efficient Modeling of NMR Parameters in Carbon Nanosystems (en)
skos:notation	RIV/61388963:_____/13:00421845!RIV14-MSM-61388963
http://linked.open...avai/predkladatel	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP208/11/0105), P(LH11033)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Kaminský, Jakub
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	72082
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/13:00421845
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	13C NMR; zigzag SWCNT; DFT (en)
http://linked.open.../riv/klicoveSlovo	zigzag SWCNT 13C NMR DFT
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[FFE1A41E8CDC]
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	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Expanding the Optical Activity Method to the Realm of Biomolecules Development of spectroscopic methods for structural studies of biomolecules
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	9
http://linked.open...iv/tvurceVysledku	Kaminský, Jakub Kupka, T. Stachów, M. Stobinski, L. Chelmecka, E. Pasterny, K. Stobinska, M.
http://linked.open...ain/vavai/riv/wos	000330096800042
issn	1549-9618
number of pages	12 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/ct4002812

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