Theoretical study on electronic structures and luminescent properties of phenol–pyridyl boron complexes
作者： Hanlu Wang , Xueye Wang , Cuili Zhang
DOI: 10.1016/J.THEOCHEM.2007.05.027
关键词: HOMO/LUMO 、 Computational chemistry 、 Chemistry 、 Time-dependent density functional theory 、 Basis set 、 Density functional theory 、 Absorption spectroscopy 、 Physical chemistry 、 Band gap 、 Boron 、 Ionization 、 Physical and Theoretical Chemistry 、 Biochemistry 、 Condensed matter physics
摘要: Electronic properties, such as HOMO and LUMO energies, band gaps and the ionization potentials (IP) of five boron complexes containing mixed phenol–pyridine donor set, were …
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