✦ LIBER ✦
Three-dimensional crystal-orbital calculations on crystallohydrates of mononucleotide salts. III. Valence-split basis sets
✍ Scribed by E. B. Starikov
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 224 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
Crystal-orbital calculations on the three-dimensional sodium, potassium, and calcium salts of different mononucleotides were carried out in the Hartree᎐Fock all-electron approximation with valence-split basis sets using the CRYSTAL 92 routine package. All the compounds under study were found to be insulators. The effect of counterion identity and hydration on the electron distribution in mononucleotides is discussed with special reference to solid-state samples of polymeric nucleic acids.