Tautomeric and protolytic properties of o-aminobenzoic acids in their lowest singlet and triplet states
β Scribed by Tramer, Andrzej
- Book ID
- 118255106
- Publisher
- American Chemical Society
- Year
- 1970
- Tongue
- English
- Weight
- 820 KB
- Volume
- 74
- Category
- Article
- ISSN
- 0022-3654
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π SIMILAR VOLUMES
## Abstract Quantumβchemical calculation of the energies of the electronic transitions and the electronic structures of the neutral and ionic species of the nucleic acids components in their ground and lower excited singlet and triplet ΟΟ\* and __n__Ο\* states has been carried out in the allβvalenc
Symmetry properties of different solutions for singlet and triplet states of some simple molecules are investigated in the framework of the half-projected Hartree-Fock (HPHF) method. HPHF initial-guess functions were obtained by using mixtures with, or substitutions by, virtual orbitals of restricte