Is AlOH the Astrochemical Reservoir Molecule of AlO?: Insights from Excited Electronic States
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چکیده
منابع مشابه
Theoretical insights of magnetizability and solvent effect on the electronic properties of CoB8- molecule
Equilibrium geometry, electronic structures, and vibrational modes of CoB8- were investigated in the PBEPBE/6-311+G(d,p) level of theory. The nucleus independent chemical shift (NICS) analysis and magnetizability values were used for studying of aromaticity in CoB8-. The effects of different solvents on the structure and frontier orbital energies were calculated using the polarizable continuum ...
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ژورنال
عنوان ژورنال: The Astrophysical Journal
سال: 2018
ISSN: 1538-4357
DOI: 10.3847/1538-4357/aad5e0