Semi-cmpiriwl SCF calculntions fCNDO/7-) of the trigonnl-bipyramidal molecule ClOzF3 proved the Czv cont$,uration to hnvc the highest strtbilizntion, in accord wiih empirical rules, and with an interpretation of the IR sFecrntm of :1 wry recent first preparation of th!; compound. 1. lritroduction Qu
โฆ LIBER โฆ
MO-SCF calculations on protonated butatriene and 1,2,3-pentatriene
โ Scribed by D. Mirejovsky; W. Drenth; F. B. van Duijneveldt
- Book ID
- 104588135
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 433 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0165-0513
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
LCAO MO SCF calculations on ClO2F3
โ
B.M. Rode; A. Engelbrecht
๐
Article
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1972
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Elsevier Science
๐
English
โ 154 KB
SCF LCAO MO calculations on ClO4โ, HCl a
โ
H. Johansen
๐
Article
๐
1971
๐
Elsevier Science
๐
English
โ 636 KB
Ab initio SCF MO calculations with gauss&-type orbit& have been '@formed on the perchlorate ion. The results correlate very well with those obtained from recent photoe~ec~on spectra, and they have been compared to remulti Llomputed u&g the &attered-wave method. The influence of chlorine 3d orbit& in
Protonation and alkylation of dianions d
โ
Day, Allan R.; Edinger, John M.; Sisenwine, Samuel F.
๐
Article
๐
1971
๐
American Chemical Society
๐
English
โ 800 KB
Semiempirical SCF-LCAO-MO calculations o
โ
Purcell, Keith F.; Collins, John Michael.
๐
Article
๐
1970
๐
American Chemical Society
๐
English
โ 591 KB
Mo self-consistent-field (scf) calculati
โ
Z. P. Bruvers; I. V. Zuika
๐
Article
๐
1980
๐
Springer US
๐
English
โ 174 KB
Mo self-consistent-field (scf) calculati
โ
Z. P. Bruvers, I. V. Zuika
๐
Article
๐
1980
๐
Springer US
๐
English
โ 174 KB