The results of an ab initio post-Hartree᎐Fock study of the details of the molecular structure and the pathways of the interconversion of the 2-aminoimidazole molecule enantiomers are reported. The geometry of the local minimum and the transition states were optimized by the gradient procedure at the
Structural nonrigidity of nucleic acid bases. Post–Hartree–Fock ab initio study
✍ Scribed by Oleg V. Shishkin; Leonid Gorb; Pavel Hobza; Jerzy Leszczynski
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 158 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0020-7608
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The results of an ab initio post-Hartree᎐Fock study of the molecular structures, relative stabilities, and mechanisms of intermolecular proton transfer in isolated and monohydrated cytosine complexes are reported. The geometries of the local minima and transition states were optimized without symmet