Electronegativity, acids, and bases—III Calculation of energies associated with some hard and soft acid-base interactions
✍ Scribed by R.S. Evans; J.E. Huheey
- Book ID
- 118907730
- Publisher
- Elsevier Science
- Year
- 1970
- Weight
- 919 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0022-1902
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Stacking of aromatic amino acids tryptophan (Trp), tyrosine (Tyr), phenylalanine (Phe), and histidine (His) with bases and base pairs of nucleic acids has been studied. Stacking energies of the amino acid-base (or base pair) complexes have been calculated by second-order perturbation theory. Our res
We compare the electrostatic potential surrounding several natural and synthetic nucleic acid bases calculated using an atom-centered multiple expansion (ACME) derived from integration of the charge distribution with that from potentialderived charges (PDCs) obtained using the CHELPG procedure. When