MNDO study of the tautomers of nucleic bases: Part II. Adenine and guanine
✍ Scribed by Andrzej Syguła; Andrzej Buda
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 682 KB
- Volume
- 92
- Category
- Article
- ISSN
- 0022-2860
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📜 SIMILAR VOLUMES
Gradient-corrected density functional computations with triplezeta-type basis sets were performed to determine the preferred protonation site and the absolute gas-phase proton affinities of the most stable tautomer of the Ž . Ž . Ž . Ž . DNA bases thymine T , cytosine C , adenine A , and guanine G .
A semiempirical MNDO method was used in calculations on monosubstituted neutral and cationic compounds of the ICH,-CO-R] type with a wide range of substituents (R = H, F, (3, CH, , NH, , OH, OCH, , NHCH, , CH=CH,). The results obtained are interpreted with respect to the effect of the individual sub
## Abstract Adiabatic electron affinities (__AEA__) and structural perturbations due to addition of an excess electron to each of the neutral guanine‐cytosine (G‐C), adenine‐thymine (A‐T), and hypoxanthine‐cytosine (HX‐C) base pairs were studied using the self‐consistent charge, density functional