optimized geometries under force of the 2 methyl furan N methyl maleimide DA adducts Proximal endo and proximal exo
Authors/Creators
- 1. University of Liege
- 2. Univerisity of Liege
- 3. University of Manchester
Description
optimized geometries under force of the 2 methyl furan N methyl maleimide DA adducts Proximal enod and proximal exo
CoGEF DFT/Uwb97Xd/6-31G(d,p) and CAS(4,4)/6-31G(d,p)
EFEI DFT/Uwb97Xd/6-31G(d,p) reactant and TS
Minimum energy point of the spin-orbit crossing CAS(4,4)/6-31G(d,p)
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