A quantum-mechanical study of the peptide molecule using Gaussian orbitals
โ Scribed by J.B. Moffat
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 337 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0022-5193
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Quantum-mechanical transition probabilities are presented for the molecule HCl(o,) reacting with a solid surface S. i.e. HCl(u,)+S --) HS+ c1: u, = 0,. \_\_ .4. The calculations were done for a fixed parallel approach (y = T/Z) of the molecule\_ Results are shown as a function of total energy E,, fo
Ab initio and semiempirical (AMl) molecular orbital theory has been used to model the cleavage of formamide at the active site of carboxypeptidase A. The model active site consists of a zinc dication coordinated to two imidazoles, an acetate, a water with a hydrogen-bonded formate, and a formamide m