DFT and TD-DFT theoretical studies on photo-induced electron transfer process on [Cefamandole].C60 nano-complex

Published 2017 View Full Article

Authors

Keywords

Cefamandole antibiotic, C, 60, fullerene, Photoinduced electron transfer, Electron localization function, Reduced density gradient, NBO, Electron hole theory, TD-DFT method, Molecular modeling

Journal

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Volume 75, Issue -, Pages 42-48

Publisher

Elsevier BV

Online

2017-04-28

DOI

10.1016/j.jmgm.2017.04.011

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