DFT Study of conformational flexibilities and interaction profiles of new class of nucleoside analogs having nucleic acid bases pairs (Pyrimidine analogues-Adenine) linked through a 1,2,3-triazole spacer
DFT calculations predict the existence of three stable conformations (one opened and two closed conformations) of the new class of nucleoside with various substituents (X = H, CH3, F, Cl, and Br). The calculations predict also that the two closed conformation are stabilized by intramolecular hydroge...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidade Federal de Mato Grosso do Sul
2014-03-01
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| Series: | Orbital: The Electronic Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.orbital.ufms.br/index.php/Chemistry/article/view/481/pdf |