Visualitza Departament: Química Física i Analítica per paraule clau "Decarboxylation Reactions"
Ara mostrant els elements 1-1 d 1
-
Reversibility and Diffusion in Mandelythiamin Decarboxylation. Searching Dynamical Effects in Decarboxylation Reactions
American Chemical Society (2012-06)Decarboxylation of mandelylthiamin in aqueous solution is analyzed by means of quantum mechanics/molecular mechanics simulations including solvent effects. The free energy profile for the decarboxylation reaction was traced, ...