HIGHLIGHTS
- who: vczxvgxc from the Department of Chemistry, Middle East Technical University, u00dcniversiteler, Eskiu015fehir Yolu No:, have published the paper: Earthline J. Chem. Sci, in the Journal: (JOURNAL)
- what: In this study amrinone and it tautomers have been studied computationally within the limitations of the density functional theory and the basis set employed (B3LYP/6-31++G(d p)).
SUMMARY
Molecular orbital (SCF MO) method (at the restricted level ). The total electronic energies are corrected for the zero point vibrational energy (ZPE). It would be interesting to investigate the tautomers of amrinone . . .
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