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| rdf:type
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| Description
| - The results of systematic ab initio calculations of 15N and 1H chemical shielding tensors in the GC base pair as a function of hydrogen bond length are presented for the first time. The hydrogen bond length characterized by the distance rNHN between purine N1 and pyrimidine N3 was varied between 2.57 and 3.50 A; and the chemical shift tensors were calculated by the sum-over-states density functional perturbation theory. It is shown that the hydrogen bond length has a strong effect on the chemical shielding tensor of both imino proton and nitrogen, on their orientation and, as a consequence, also on the relaxation properties of both nuclei. For a nitrogen nucleus not involved in hydrogen bonding, the shielding tensor is nearly axially symmetric and almost collinear with the bond vector. As the length of the hydrogen bond decreases, the least shielding component deflects from the N-H vector and the shielding tensor becomes increasingly asymmetric. The significance of the presented results for the analys
- The results of systematic ab initio calculations of 15N and 1H chemical shielding tensors in the GC base pair as a function of hydrogen bond length are presented for the first time. The hydrogen bond length characterized by the distance rNHN between purine N1 and pyrimidine N3 was varied between 2.57 and 3.50 A; and the chemical shift tensors were calculated by the sum-over-states density functional perturbation theory. It is shown that the hydrogen bond length has a strong effect on the chemical shielding tensor of both imino proton and nitrogen, on their orientation and, as a consequence, also on the relaxation properties of both nuclei. For a nitrogen nucleus not involved in hydrogen bonding, the shielding tensor is nearly axially symmetric and almost collinear with the bond vector. As the length of the hydrogen bond decreases, the least shielding component deflects from the N-H vector and the shielding tensor becomes increasingly asymmetric. The significance of the presented results for the analys (en)
- The results of systematic ab initio calculations of 15N and 1H chemical shielding tensors in the GC base pair as a function of hydrogen bond length are presented for the first time. The hydrogen bond length characterized by the distance rNHN between purine N1 and pyrimidine N3 was varied between 2.57 and 3.50 A; and the chemical shift tensors were calculated by the sum-over-states density functional perturbation theory. It is shown that the hydrogen bond length has a strong effect on the chemical shielding tensor of both imino proton and nitrogen, on their orientation and, as a consequence, also on the relaxation properties of both nuclei. For a nitrogen nucleus not involved in hydrogen bonding, the shielding tensor is nearly axially symmetric and almost collinear with the bond vector. As the length of the hydrogen bond decreases, the least shielding component deflects from the N-H vector and the shielding tensor becomes increasingly asymmetric. The significance of the presented results for the analys (cs)
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| Title
| - Hydrogen Bonding Effects on the N-15 and H-1 Shielding Tensors in Nucleic Acid Base Pairs
- Hydrogen Bonding Effects on the N-15 and H-1 Shielding Tensors in Nucleic Acid Base Pairs (en)
- Hydrogen Bonding Effects on the N-15 and H-1 Shielding Tensors in Nucleic Acid Base Pairs (cs)
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| skos:prefLabel
| - Hydrogen Bonding Effects on the N-15 and H-1 Shielding Tensors in Nucleic Acid Base Pairs
- Hydrogen Bonding Effects on the N-15 and H-1 Shielding Tensors in Nucleic Acid Base Pairs (en)
- Hydrogen Bonding Effects on the N-15 and H-1 Shielding Tensors in Nucleic Acid Base Pairs (cs)
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| skos:notation
| - RIV/00216224:14310/00:00002322!RIV08-MSM-14310___
|
| http://linked.open.../vavai/riv/strany
| |
| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
| - P(GA203/99/0311), P(VS96095), Z(MSM 143100005)
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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
| |
| http://linked.open...iv/duvernostUdaju
| |
| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
| |
| http://linked.open...ai/riv/idVysledku
| - RIV/00216224:14310/00:00002322
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - NMR; chemical shielding tensor; ab initio calculations; purines; pyrimidines; TROSY; relaxation (en)
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| http://linked.open.../riv/klicoveSlovo
| |
| 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 Magnetic Resonance
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| http://linked.open...in/vavai/riv/obor
| |
| http://linked.open...ichTvurcuVysledku
| |
| http://linked.open...cetTvurcuVysledku
| |
| http://linked.open...vavai/riv/projekt
| |
| http://linked.open...UplatneniVysledku
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| http://linked.open...v/svazekPeriodika
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| http://linked.open...iv/tvurceVysledku
| - Sklenář, Vladimír
- Czernek, Jiří
- Fiala, Radovan
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| http://linked.open...n/vavai/riv/zamer
| |
| issn
| |
| number of pages
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| http://localhost/t...ganizacniJednotka
| |
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