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An experimental study of nucleophilic addition to formaldehyde in the gas phase

โœ Scribed by Bohme, D. K.; Mackay, G. I.; Tanner, S. D.

Book ID
126063358
Publisher
American Chemical Society
Year
1980
Tongue
English
Weight
393 KB
Volume
102
Category
Article
ISSN
0002-7863

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An MC SCF study of the nucleophilic addi
An MC SCF study of the nucleophilic addition of OHโˆ’ to ethene and formaldehyde
โœ Fernando Bernardi; Massimo Olivucci; Gabriella Poggi; Michael A. Robb; Glauco To ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 295 KB

MC SCF computations on the nucleophilic addition of OH-to ethene and formaldehyde are presented. The active orbital space in the MC SCF computation is chosen in such a way that the OH lone pair can be represented by two different spatial orbitals so that the two lone-pair electrons can either be spi