optimized geometries under force of the 2 methyl furan N methyl maleimide DA adducts Proximal endo and proximal exo
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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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2022-12-22
