Monte Carlo Configuration Interaction (MCCI) is a computer program that calculates electronic structure of molecular systems using a method ... As its input data, MCCI requires a list of molecular ...

The simplest configuration of an organic ... function cathode is required for efficient electron injection to the lowest unoccupied molecular orbital of the organic layer (the equivalent of ...

Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, CAS Research/Education Center for Excellence in Molecular Sciences, ...

Electronic Configuration,Electrostatic Energy,Elementary Reactions,Experimental Platform,Fault Diagnosis,Fault Diagnosis Method,Fault Features,Force Field,Frontier Molecular Orbital Analysis,Frontier ...