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Molecular Modeling of Dimetal Systems. Part 3. Dichromium Bonds

✍ Scribed by Boeyens, Jan C. A.; O'Neill, Francoise M. M.

Book ID
127316118
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
223 KB
Volume
37
Category
Article
ISSN
0020-1669

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Molecular modeling of the Wittig olefina
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✍ Frank MarΓ­; Paul M. Lahti; William E. McEwen πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 895 KB

## Abstract We have shown that the MNDO‐PM3 semiempirical molecular orbital method is capable of yielding calculated structures of oxaphosphetanes and ylides that are comparable with the experimentally known structures. The MNDO‐PM3 method also reproduces the geometric and thermodynamic parameters