119 research outputs found
A Theoretical Study of Solvent Effects on Radiative Deactivation of Singlet Molecular Oxygen (<sup>1</sup>Δ<sub>g</sub> O<sub>2</sub>)
Molecular Dynamics Simulation of the Solvation of Benzene Anion with Different Charge Distributions. Application to Self-Exchange Electron-Transfer Reactions
Semi-emprical studies of cobalamins, corrin models, and cobaloximes. The nucleotide loop does not strain the corrin ring in cobalamins
Basis Set and Nuclear Relaxation Effects in Hole and Electron Transfer in a Water Dimer System
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