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rdf:type
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Description
| - Three- and four-body nonadditivities in the uracil tetramer (in DNA-like geometry) and the GC step (in crystal geometry) were investigated at various levels of the wave-function theory: HF, MP2, MP3, L-CCD, CCSD and the CCSD(T). The HF and MP2 level do no provide reliable values for many-body terms due to improper description of monomer properties and dispersion energy nonadditivity. Benchmark CCSD(T) values are well reproduced on much cheaper MP3 and L-CCD levels. Inclusion of three-body terms is necessary for determination of optimal geometry parameters.
- Three- and four-body nonadditivities in the uracil tetramer (in DNA-like geometry) and the GC step (in crystal geometry) were investigated at various levels of the wave-function theory: HF, MP2, MP3, L-CCD, CCSD and the CCSD(T). The HF and MP2 level do no provide reliable values for many-body terms due to improper description of monomer properties and dispersion energy nonadditivity. Benchmark CCSD(T) values are well reproduced on much cheaper MP3 and L-CCD levels. Inclusion of three-body terms is necessary for determination of optimal geometry parameters. (en)
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Title
| - Three- and four-body nonadditivities in nucleic acid tetramers: a CCSD(T) study
- Three- and four-body nonadditivities in nucleic acid tetramers: a CCSD(T) study (en)
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skos:prefLabel
| - Three- and four-body nonadditivities in nucleic acid tetramers: a CCSD(T) study
- Three- and four-body nonadditivities in nucleic acid tetramers: a CCSD(T) study (en)
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skos:notation
| - RIV/61388963:_____/10:00342591!RIV11-MSM-61388963
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(LC512), Z(AV0Z40550506)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388963:_____/10:00342591
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - DNA; dispersion energy; nonadditivity; CCSD(T) (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Physical Chemistry Chemical Physics
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
| |
http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Hobza, Pavel
- Neogrady, P.
- Pitoňák, Michal
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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