Predicting nitrogen and oxygen kinetic isotope effects of nitrate reduction by periplasmic dissimilatory nitrate reductase
Yuyang He, Yining Zhang, Siting Zhang, Yun Liu
Topics & Concepts
ChemistryKinetic isotope effectReaction coordinateNitrate reductaseSolventMoleculeCutoffComputational chemistryDissociation (chemistry)Kinetic energyChemical physicsNitrateThermodynamicsPhysical chemistryAtomic physicsPhysicsOrganic chemistryQuantum mechanicsDeuteriumAmmonia Synthesis and Nitrogen ReductionMetalloenzymes and iron-sulfur proteinsCatalytic Processes in Materials Science