Quasiclassical simulations based on cluster models reveal vibration-facilitated roaming in the isomerization of CO adsorbed on NaCl
Apurba Nandi, Peng Zhang, Jun Chen, Hua Guo, Joel M. Bowman
Topics & Concepts
IsomerizationChemistryCluster (spacecraft)Potential energy surfaceSaddle pointChemical physicsAdsorptionPhotochemistryComputational chemistryAb initioExcited statePotential energyPhysical chemistryAtomic physicsCatalysisOrganic chemistryComputer scienceMathematicsPhysicsProgramming languageGeometryAdvanced Chemical Physics StudiesQuantum, superfluid, helium dynamicsCatalytic Processes in Materials Science