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B3LYP vs M06-2X for HOMO-LUMO gap calculations?
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+ Computational chemistry
+ Physical chemistry
+ Homo-lumo
Posted by
Ajay Kumar
B3LYP vs M06-2X for HOMO-LUMO gap calculations?
Why B3LYP better is than M06-2X for HOMO-LUMO energy gap calculations?Any references ?
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