Intermolecular CH_O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F14%3A00074805" target="_blank" >RIV/00216224:14740/14:00074805 - isvavai.cz</a>
Result on the web
<a href="http://www.tandfonline.com/doi/full/10.1080/07391102.2013.799439" target="_blank" >http://www.tandfonline.com/doi/full/10.1080/07391102.2013.799439</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1080/07391102.2013.799439" target="_blank" >10.1080/07391102.2013.799439</a>
Alternative languages
Result language
angličtina
Original language name
Intermolecular CH_O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study
Original language description
This study aims to cast light on the physico-chemical nature and energetic of the non-conventional CH...O/N H-bonds in the biologically important natural nucleobase pairs using a comprehensive quantum-chemical approach. As a whole, the 36 biologically important pairs, involving canonical and rare tautomers of nucleobases, were studied by means of all available up-to-date state-of-the-art quantum-chemical techniques along with quantum theory ?Atoms in molecules? (QTAIM), Natural Bond Orbital (NBO) analysis, Grunenberg?s compliance constants theory, geometrical and vibrational analyses to identify the CH...O/N interactions, reveal their physico-chemical nature and estimate their strengths as well as contribution to the overall base-pairs stability.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Biomolecular Structure and Dynamics
ISSN
0739-1102
e-ISSN
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Volume of the periodical
32
Issue of the periodical within the volume
6
Country of publishing house
GB - UNITED KINGDOM
Number of pages
30
Pages from-to
993-1022
UT code for WoS article
000331524500011
EID of the result in the Scopus database
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