Molecular modeling of the Wittig olefination reaction
The Wittig reaction has been investigated with the use of a molecular modeling approach utilizing empirical molecular mechanics calculations (MMX) and semiempirical molecular orbital methods (MNDO-PM3). The MNDO-PM3 method reproduces the geometric and thermodynamic parameters, previously calculated...
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| Language: | ENG |
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ScholarWorks@UMass Amherst
1991
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| Online Access: | https://scholarworks.umass.edu/dissertations/AAI9207433 |