By utilizing Car-Parrinello molecular dynamics (CPMD) based metadynamics simulations in combination with the Marcus electron transfer theory, we examine the energetics of condensation reactions between aqueous vanadium ions to form dimers and their subsequent dissociation into vanadium species of different oxidation states after electron transfer has occurred. 
Car-Parrinello molecular dynamics
By utilizing Car-Parrinello molecular dynamics (CPMD) based metadynamics simulations in combination with the Marcus electron transfer theory, we examine the energetics of condensation reactions between aqueous vanadium ions to form dimers and their subsequent dissociation into vanadium species of different oxidation states after electron transfer has occurred. 
metadynamics simulations
By utilizing Car-Parrinello molecular dynamics (CPMD) based metadynamics simulations in combination with the Marcus electron transfer theory, we examine the energetics of condensation reactions between aqueous vanadium ions to form dimers and their subsequent dissociation into vanadium species of different oxidation states after electron transfer has occurred. 
Marcus electron transfer theory