About: Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer

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About: Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The CCSD(T) interaction energies for the H-bonded and stacked structures of the uracil dimer are determined at the aug-cc-pVDZ and aug-cc-pVTZ levels. On the basis of these calculations we can construct the CCSD(T) interaction energies at the complete basis set (CBS) limit. The CCSD(T) interaction energies for the H-bonded and stacked structures of the uracil dimer are determined at the aug-cc-pVDZ and aug-cc-pVTZ levels. On the basis of these calculations we can construct the CCSD(T) interaction energies at the complete basis set (CBS) limit. (en) CCSD(T) interační energie dimeru uracilu pro patrové struktury a struktury s vodíkovou vazbou byly určeny pomocí aug-cc-pVDZ and aug-cc-pVTZ bazí. CCSD(T) interační energie byla určena na úrovní kompletního bázového limitu. (cs)
Title	Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer (en) Přesné CCSD(T) a DFT-SAPT stabilizační energe dimeru uracilu pro patrové struktury a struktury s vodíkovou vazbou (cs)
skos:prefLabel	Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer (en) Přesné CCSD(T) a DFT-SAPT stabilizační energe dimeru uracilu pro patrové struktury a struktury s vodíkovou vazbou (cs)
skos:notation	RIV/61388963:_____/08:00315796!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	12
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Hobza, Pavel Pitoňák, Michal Riley, Kevin Eugene
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	370115
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/08:00315796
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; correlation energy; hydrogen bonds; nucleotides; stacking interactions (en)
http://linked.open.../riv/klicoveSlovo	correlation energy ab initio calculations nucleotides stacking interactions hydrogen bonds
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[70BB6B5D6086]
http://linked.open...i/riv/nazevZdroje	ChemPhysChem
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems
http://linked.open...UplatneniVysledku	2008
http://linked.open...v/svazekPeriodika	9
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Riley, Kevin Eugene Neogrady, P. Pitoňák, Michal
http://linked.open...ain/vavai/riv/wos	000258368700022
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1439-4235
number of pages	9 (xsd:int)

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