Empirical atom—atom potential calculations on histamine and 4-methylhistamine
✍ Scribed by E.A. Jauregui; M.R. Estrada; L.S. Mayorga; G.M. Ciuffo
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 745 KB
- Volume
- 54
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract Atomic charges derived from a recently described approach to the very rapid computation of AM1 electrostatic potentials (ESP) accurately parallel, but are ca. 20% smaller than, the corresponding HF/6‐31G\* values. The dipole moments computed from the AM1 charges are virtually identical
## Abstract An empirical linear correlation exists between nuclear quadrupole resonance frequencies of halogen nuclei (^35^Cl, ^79^Br, ^127^I) and the polarographic reduction potentials in series of organic halides. In terms of electronic structure this is interpreted as a significant relationship