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Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.49A [2010] >
IJC-A Vol.49A(10) [October 2010] >
| Title: | Density functional theory study on the interaction between guanine-cytosine base pair and formamide |
| Authors: | Qin, Mei
Zhao, Gang
Du, Dong-mei
Ma, Ke-sheng
Zhou, Zheng-yu |
| Keywords: | Theoretical chemistry
Density functional calculations
Hydrogen bonds
Guanine
Cytosine
Formamide |
| Issue Date: | Oct-2010 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Hydrogen bonding in complexes formed between guanine-cytosine and formamide has been investigated by using density
functional theory method at 6-311++G(d, p) level. The binding energies of these
complexes have also been calculated at the B3LYP/6-311++G(d, p) level. Thirteen
stable cyclic structures involved in the interaction have been found on the
potential energy surface. The most stable geometry has been obtained by
analysis of the structure, NPA charge and interaction energy of complexes. The
results show that the interactions between formamide and guanine-cytosine base pair affect the stabilities of the base pairs. |
| Page(s): | 1332-1338 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Source: | IJC-A Vol.49A(10) [October 2010]
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