Electronic Structure and Spectrum of Pyridinium Cation
نویسندگان
چکیده
منابع مشابه
An Iridatropylium Cation: Investigation of Electronic Structure
A study of the [C6 H6 Ir(PH3 )3 ]+ iridatropylium cation structure based on frontier orbital analysis, thermodynamic analysis, and natural bond orbital (NBO) theory is the main aim of the present research. Also, HOMO, LUMO energies, hardness, electrophilicity and chemical potential were calculated. Structural analysis indicated the optimized geometry shows a good agreement with the experimental...
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ژورنال
عنوان ژورنال: Nippon kagaku zassi
سال: 1966
ISSN: 0369-5387,2185-0917
DOI: 10.1246/nikkashi1948.87.32