Повний конформаційний аналіз молекули 2'-дезоксигуанозину квантово-механічним методом функціонала густини
The comprehensive conformational analysis of 2'-deoxycytidine is first done by means of the quantum-chemical density functional method on the MP2/6–311++G(d, p)//DFT B3LYP/6–31G(d, p) theory level. Main geometric, energetic, and polar characteristics are given for all 96 stable conformers, as w...
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| Date: | 2007 |
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| Main Authors: | , |
| Format: | Article |
| Language: | Ukrainian |
| Published: |
Видавничий дім "Академперіодика" НАН України
2007
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Повний конформаційний аналіз молекули 2'-дезоксигуанозину квантово-механічним методом функціонала густини / Р.О. Жураківський, Д.М. Говорун // Доп. НАН України. — 2007. — N 4. — С. 187-195. — Бібліогр.: 11 назв. — укp. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Summary: | The comprehensive conformational analysis of 2'-deoxycytidine is first done by means of the quantum-chemical density functional method on the MP2/6–311++G(d, p)//DFT B3LYP/6–31G(d, p) theory level. Main geometric, energetic, and polar characteristics are given for all 96 stable conformers, as well as the conformational equilibria under normal conditions. |
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