๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

MO-SCF calculations for B2O3

โœ Scribed by Joseph F. Chiang; Donald R. Whitman


Book ID
104791675
Publisher
Springer
Year
1970
Tongue
English
Weight
114 KB
Volume
17
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES


LCAO MO SCF calculations on ClO2F3
โœ B.M. Rode; A. Engelbrecht ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 154 KB

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

Mo scf calculations on isocyanates
โœ B.M. Rode; W. Kosmus; E. Nachbaur ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 240 KB

Calculations on some isocyanates h3~1! been performed by rnwn5 of semi-anpiric;ll hl0 methods (CNDO/Z). The NC0 group is found to be nonlinear, in agreement with recent esperimcntai results. Energies, charge densities and bond indices are dkcussd in relation to the stability of these compounds.

SCF MO calculations for the three monobe
โœ Michael J.S. Dewar; Gerald Jay Gleicher ๐Ÿ“‚ Article ๐Ÿ“… 1965 ๐Ÿ› Elsevier Science ๐ŸŒ French โš– 197 KB

The two benzonzi,hthaleneo, nhcninthrene and anthracene, differ greatly in their properties, ?hennntarene naviny a sienificnntlv larger resonance enemy and bei,lg much less reactive. Since nn2hthnlcne and azulene aye isoseric aror?atic