Chemical reactions that occur in the ground electronic state are described well by invoking the Born-Oppenheimer approximation, which allows their development to be rationalized by nuclear rearrangements that smoothly traverse an adiabatic potential energy surface. The situation is different, however
Physical chemistry chemical physics : PCCP, 14(37), 12800-12806 (2012-08-10)
The electronic and structural features of (oxo)manganese(V) corroles and their catalyzed oxygen atom transfers to thioanisole in different spin states have been investigated by the B3LYP functional calculations. Calculations show that these corrole-based oxidants and their complexes with thioanisole generally
Journal of the American Chemical Society, 131(36), 12892-12893 (2009-08-26)
Magnetic nanoparticles (MNPs) with a core diameter of 30 nm comprising several iron oxide crystals, a poly(glycidyl methacrylate) (PGMA) shell with a thickness of 30 nm, and a surface coated with chloroperoxidase (CPO) were facilely fabricated as a nanobiocatalyst for
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