About: Computational analysis of solvent effects in NMR spectroscopy

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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)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Solvent effects for NMR spectroskopy were modeled on simple molecules using DFT and CPMD techniques, and discussed on experimental results. Solvent effects for NMR spectroskopy were modeled on simple molecules using DFT and CPMD techniques, and discussed on experimental results. (en)
Title	Computational analysis of solvent effects in NMR spectroscopy Computational analysis of solvent effects in NMR spectroscopy (en)
skos:prefLabel	Computational analysis of solvent effects in NMR spectroscopy Computational analysis of solvent effects in NMR spectroscopy (en)
skos:notation	RIV/61388963:_____/10:00342468!RIV11-GA0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/07/0732), P(GA203/09/1919), P(IAA400550702), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Bouř, Petr Dračínský, Martin
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	251709
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/10:00342468
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	NMR; solvent effects; computations (en)
http://linked.open.../riv/klicoveSlovo	NMR solvent effects computations
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[5D2E1E4507FC]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Theory and Computation
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Conformational flexibility of peptides in solution Development of methods for configuration determination at chiral sulfur, nitrogen or phosphorus atom using NMR spectroscopy and ab initio calculations Spectroscopic and theoretical methods for non-covalent molecular interactions
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	6
http://linked.open...iv/tvurceVysledku	Bouř, Petr Dračínský, Martin
http://linked.open...ain/vavai/riv/wos	000273405700029
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	12 (xsd:int)

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