most citedElectronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated Ab Initio Methods

110 citations · 110 across the 1 of their papers we have counts for

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physics.chem-ph2011★ 110 cited

Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated Ab Initio Methods

Karina Kornobis, Neeraj Kumar, Bryan M. Wong +5

Time-dependent density functional theory (TD-DFT) and correlated ab initio methods have been applied to the electronically excited states of vitamin B12 (cyanocobalamin or CNCbl).…