𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio study of the binding of the guanidinium and aminopyrrolydinium ions to thymine

✍ Scribed by Anne-Marie Sapse; Shahrzad Kabir; Grace Snyder

Book ID
113258646
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
362 KB
Volume
339
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

An ab initio study of the guanidinium fr
An ab initio study of the guanidinium fragments in tetrodotoxin and saxitoxin
✍ A. M. Sapse; A. Santoro πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 336 KB πŸ‘ 2 views

## Abstract SCF Hartree–Fock calculations are used to predict properties of the guanidinium fragment present in tetrodotoxin and saxitoxin, toxins known to block the sodium channels of the nerve cell membrane. The results, in terms of net atomic charges and geometries, are compared to similar calcu

An Ab Initio study of the permanganate i
An Ab Initio study of the permanganate ion
✍ Albert P. Mortola; Harold Basch; Jules W. Moskowitz πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 646 KB

## Abstract An __ab initio__ self‐consistent computation has been performed on the permanganate ion (MnO) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentall

An ab-initio SCF study of the binding of
An ab-initio SCF study of the binding of Li+ to bases
✍ J.F. Hinton; A. Beeler; D. Harpool; R.W. Briggs; A. Pullman πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 356 KB

The binding energy of the Li+ ion to twenty-two molecules with basic functional groups has been calculated using abinitio SCF techniques. The bases studied represent a number of different types of functiona! groups, i.e. -0 Z-N. x. -8-0, -0-, -N:, -eN and -N=. The calculated binding energies compare