About: Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation

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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	Correlated ab initio wave function calculations have been performed, using nonrelativistic frozen core MP2 complete basis set extrapolation model chemistry. The calculations have been made for three test sets of gas-phase saccharide conformations to provide reference values for their relative energies. Correlated ab initio wave function calculations have been performed, using nonrelativistic frozen core MP2 complete basis set extrapolation model chemistry. The calculations have been made for three test sets of gas-phase saccharide conformations to provide reference values for their relative energies. (en)
Title	Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation (en)
skos:prefLabel	Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation (en)
skos:notation	RIV/61388963:_____/11:00358957!RIV12-AV0-61388963
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	4
http://linked.open...vai/riv/dodaniDat	2012
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	184422
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/11:00358957
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	MP2; basis set extrapolation; saccharides (en)
http://linked.open.../riv/klicoveSlovo	MP2 basis set extrapolation saccharides
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[CC5E82CE1503]
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...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	7
http://linked.open...iv/tvurceVysledku	Csonka, G. I. Kaminský, Jakub
http://linked.open...ain/vavai/riv/wos	000289315700022
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	10 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/ct200007x

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