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rdf:type
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Description
| - First- and second-order perturbation energies for H-bonded and stacked structures of nucleic acid base pairs in DNA crystal geometries were determined using the density functional theory symmetry adapted perturbation treatment method. Considerably larger stabilization of the former pairs is due to electrostatic and induction energies. Total E(1) energies for both pairs are, however, similar and the same is true for dispersion energy.
- First- and second-order perturbation energies for H-bonded and stacked structures of nucleic acid base pairs in DNA crystal geometries were determined using the density functional theory symmetry adapted perturbation treatment method. Considerably larger stabilization of the former pairs is due to electrostatic and induction energies. Total E(1) energies for both pairs are, however, similar and the same is true for dispersion energy. (en)
- Poruchové energie prvního a druhého řádu pro vodíkově vázané a patrové struktury párů bazí nukleových kyselin v krystalových geometriích vzatých z DNA byly získány pomocí metody DFT-SAPT. Větší část stabilizační energie pochází z elektrostatické a indukční interakce. Celková E(1) energie pro oba páry je však podobná, což platí i pro disperzní energii. (cs)
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Title
| - Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry
- DFT-SAPT energetická dekompozice pro báze nukleových kyselin z krystalových geometrií vzatých z DNA (cs)
- Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry (en)
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skos:prefLabel
| - Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry
- DFT-SAPT energetická dekompozice pro báze nukleových kyselin z krystalových geometrií vzatých z DNA (cs)
- Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry (en)
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skos:notation
| - RIV/61388963:_____/07:00090956!RIV08-AV0-61388963
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA203/05/0009), P(LC512), Z(AV0Z40550506), Z(MSM6198959216)
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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:_____/07:00090956
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - nucleic acid base pairs; interaction energy decomposition; dispersion interactions (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of 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
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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
- Sedlák, Robert
- Jurečka, Petr
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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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