Effect of the state of h-b-1 hydrogen bond on the character of some atom vibrations in guanine-cytosine pair of the DNA molecule

✍ Scribed by Kiril B. Tolpygo; Helen A. Grebneva

• Publisher: John Wiley and Sons
• Year: 1996
• Tongue: English
• Weight: 673 KB
• Volume: 57
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1996)57:2<219::aid-qua8>3.0.co;2-0

✦ Synopsis

For the first hydrogen bond of the guanine-cytosine (G-C) pair, the potential function V(r, R ) is found for the nonequilibrium bond length R. A new form of the semiempirical potential function, Clementi's calculations for V ( r , R,) and some experimental data are used. New wave functions and energy levels as a function of the H-bond length for the ground and several excited states are obtained. This allows one to obtain frequencies and amplitudes of some vibrations of the G-C pair side groups involved in the formation of the hydrogen bond when the latter is not excited and when it is excited to the first energy level.