A theoretical study of the cytosine excimer state
✍ Scribed by Victor I. Danilov; Oleg N. Slyusarchuk; James L. Alderfer; Patrik R. Callis; James J.P. Stewart
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 519 KB
- Volume
- 209
- Category
- Article
- ISSN
- 0009-2614
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## 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
A theoretical study has been performed on the five lowest excited states of the ozone molecule using multiconfigurational second-order perturbation theory (CASPT2). The predicted order of states is: 3A 2 (T O = 1.15 eV), 3B 2 (T O = 1.33 eV), 3B 1 (T O ---1.33 eV), 1A 2 (T O = 1.44 eV) and 1B 1 (T O