Transition state structures and intermediates modeling carboxylation reactions catalyzed by rubisco. a quantum chemical study of the role of magnesium and its coordination sphere

• The reactive sequences mimicking the carboxylation chemistry catalyzed by Rubisco are characterized at HF/3-21G and HF/6-31G** calculation levels. Hydroxypropanone, (CH3)-H-1-(CO)-O-2-(CH2OH)-H-3, represents the substrate D-ribulose-1,5-bisphosphate, whil

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RIBULOSE-1;5-BISPHOSPHATE CARBOXYLASE; RIBULOSE 1;5-BISPHOSPHATE; MOLECULAR MECHANISM; OXYGENATION; SUBSTRATE; CHEMISTRY; INVERSION; SYSTEM; BOND

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