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: Journal of the American Chemical Society
سال: 1973
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja00795a009