Achieving the cooperative and stepwise regulation of ESIDPT process in AFBD by introducing different electronic groups
Hongyan Mu, Dan Li, Jiaan Gao, Yang Wang, Yifu Zhang, Guangyong Jin, Hui Li, Hui Li
Topics & Concepts
ChemistryIntramolecular forceProtonExcited stateGroup (periodic table)Potential energy surfaceProcess (computing)Electronic effectElectronic structureComputational chemistryAtomic physicsStereochemistryMoleculeOrganic chemistryQuantum mechanicsOperating systemPhysicsSteric effectsComputer sciencePhotochemistry and Electron Transfer StudiesPorphyrin and Phthalocyanine ChemistrySpectroscopy and Quantum Chemical Studies