Theoretical Investigation on the Absorpt
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Xiao-Ying Hu; Xiao-Juan Liu; Ji-Kang Feng
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Article
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2007
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John Wiley and Sons
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English
⚖ 268 KB
👁 2 views
## Abstract This paper presents a Density Functional or Time Dependent Density Functional (DFT/TDDFT) study of the molecular and electronic structures, optical absorption and emission spectra of three linkage isomers:bis(isothiocyanato‐S)(2,2′‐bipyridyl) platinum(II) ([Pt(SCN)~2~(bpy)]), (isothiocy