Aravind babu Kajjam

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How to calculate contribution of HOMO and LUMO in mulliken population analysis.

I did some of the iridium complex and ligand population analysis. is that sufficient for calculating Mulliken population analysis. from population analysis is there possibility to calculate the...

20 June 2016 892 1 View

Error termination in NtrErr: NtrErr called from FIOCnC.

I am doing singlet energy level calculations of a molecule which is having 130 atoms. the optimization of the compound done by using B3LYP/6-31G(d,p), in 64bits-windows. the optimization done...

30 March 2016 1,014 7 View