Browsing Chemistry & Earth Sciences by Subject "NICS"
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A computational study on molecular structure and stability of tautomers of dipyrrole-based phenanthroline analogue
( Elsevier B.V. , 2018 , Article)This work reports structure and stability of different tautomers of a newly-designed analogue of 1,10-phenanthroline-5,6-dione (the di-keto structure (DK) derived from 1H,8H-pyrrolo[3,2-g]indole (PI)) using quantum chemical ...