Journal Article 4 Marcus theory Fermi Golden rule 1 Research Support, Non-U.S. Gov't 1 ambident reactivity 1 atom and molecule hardness 1 charge recombination 1 plus ... charge separation 1 conceptual DFT 1 crystal structure simulation 1 delocalization index 1 electron affinity 1 electron coupling 1 electron transfer 1 fragment charge difference 1 generalization of Mulliken Hush 1 hard and soft acids and bases (HSAB) principle 1 interface 1 ionization potential 1 localization index 1 maximum hardness principle (MHP) 1 napthadithiophene 1 optoelectronic properties 1 singlet fission 1 moins ...