Ultrafast Proton Transfer Dynamics on the Repulsive Potential of the Ethanol Dication: Roaming-Mediated Isomerization versus Coulomb Explosion
Enliang Wang, Xu Shan, Lei Chen, Thomas Pfeifer, Xiangjun Chen, Xueguang Ren, Alexander Dorn
Abstract
. The present findings can help to understand the complex fragmentation dynamics of molecular cations.
Topics & Concepts
DicationChemistryCoulomb explosionFragmentation (computing)IsomerizationIonizationPotential energy surfaceProtonMolecular dynamicsAb initioChemical physicsDissociation (chemistry)Atomic physicsComputational chemistryPhotochemistryMoleculeIonPhysical chemistryPhysicsQuantum mechanicsOrganic chemistryBiochemistryComputer scienceCatalysisOperating systemSpectroscopy and Quantum Chemical StudiesMass Spectrometry Techniques and ApplicationsAdvanced Chemical Physics Studies