Substituent and solvent effects on geometric and electronic structure of C5H5Ir(PH3)3 iridabenzene: A theoretical insight

Title
Substituent and solvent effects on geometric and electronic structure of C5H5Ir(PH3)3 iridabenzene: A theoretical insight
Authors
Keywords
iridabenzene, substituent effect, solvent effect, natural bond orbital (NBO) analysis, nucleus independent chemical shift (NICS), hyperpolarizability
Journal
JOURNAL OF STRUCTURAL CHEMISTRY
Volume 56, Issue 8, Pages 1483-1494
Publisher
Pleiades Publishing Ltd
Online
2016-01-26
DOI
10.1134/s0022476615080053

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