Registration Number
0212U008385,
0112U005368
, R & D reports
Title
Conformational capacity of 2'-deoxyribonucleosides and 2'-ribonucleosides: a quantum-chemical study
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Head
Hovorun Dmytro Mykolayovych,
Registration Date
23-11-2012
Organization
Institute of Molecular Biology and Genetics of NASU
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A complete conformational analysis of canonical deoxyribonucleosides was done by quantum-chemical calculations methods MP2/6-311 + + G (d, p) / / DFT B3LYP/6-31G (d, p) and MP2/6-311 + + G (d, p) / / MP2 / 6 -31G (d, p) . The energy and structural characteristics of all conformers were established. Within the QTAIM theory the presence of intramolecular H-bonds in all conformers was established.
Product Description
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Д.М.Говорун
О.О. Броварець
Р.О. Жураківський
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2020-04-02
