𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The geometry and spin density distribution of the tyrosyl radical: a molecular orbital study

✍ Scribed by Patrick J. O' Malley; Andrew J. MacFarlane; Stephen E.J. Rigby; Jonathan H.A. Nugent


Book ID
115720403
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
503 KB
Volume
1232
Category
Article
ISSN
0005-2728

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Electron spin density distribution in th
✍ D.P. Vercauteren; J.-M. AndrΓ©; E.G. Derouane πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 440 KB

The standard INDC method has been used to calculate the e!cctron spin density distribution and isotropic Fermi contact hypcrfine coupling in the radicals CO+, COT, and OF. Bond lengths and angle (for CO?:) have been varied over a rcasonable ranpe. Geomctricnl effects arc found to have a rclativcly s

Hybrid density functional studies of a b
✍ O'malley, Patrick J. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 208 KB πŸ‘ 2 views

Hybrid density functional calculations are performed on models of the bacteriopheophytin a molecule, which acts as an electron acceptor in the initial electron transfer events of bacterial photosynthesis. The geometry of the neutral and one-electron reduced free radical form are calculated. Little v

An AB initio molecular orbital study of
✍ J.C. Cobb; A. Hinchliffe πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 129 KB

Kcccivud 4 Ocrobcr I97 3 Gaussian orbital calculations 01. the ESR coupling consrunts in the PI-2 radical arc prescnred, in cscellcnt agree mcnt with experiment.