𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The calculation of oxygen potentials

✍ Scribed by J.H. Harding


Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
271 KB
Volume
130
Category
Article
ISSN
0022-3115

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Calculation of the vertical ionization p
✍ Stephen R. Langhoff; Delano P. Chong πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 291 KB

The vcrtlcat lonlz;lhon pokntlalsof Or\*, HNrz and Cl12r2 wcrc colnputcd by Raylclgb-SLhrodlnfcr purturbatlon corrcchons to Koopmans' theorem. Compxrlson of the rvcragc absolute devlatlon of 21 lomzahon potcnt!dls from c\pcrlmcnt lndlcates ngndiunt nnprovcmcnt over prcvlous large-scale frozcn-orbnal

Approximately projected UHF MΓΈller-Pless
✍ Takayuki Fueno; Yoichi Takahara; Kizashi Yamaguchi πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 550 KB

Geometries for the CH2CH,0 diradical, both singlet and triplet, in various conformations were optimized and the unimolecular reaction paths for the lowest-lying singlet and triplet diradicals were determined by the SCF energy gradient method employing the 6-31G\* basis functions. Approximately proje

Calculation of crystal potentials
✍ Dimitrios A. Papaconstantopoulos; Wayne R. Slaughter πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 35 KB