Keywords = DFT
Number of Articles: 5
1. Study of UV-Vis absorption spectra of magnetic molecule tripyridinium bis[tetrabromidoferrate(III)] bromide with density functional formalisms

Articles in Press, Accepted Manuscript, Available Online from 15 November 2021

F. Baniasadi; M. B. Fathi; M. M. Tehranchi; V. Amani


2. Theoretical studies on photo-induced electron transfer process on [Thioridazine].C60 nano-complex; a first principle DFT and TD-DFT

Volume 28, Issue 3, June 2021, Pages 1343-1352

A. A.Taherpour; P. Gholami keivanani; M. Jamshidi; S. Hatami; N. Zolfaghar


3. Conformation of Gemcitabine: An Experimental NMR and Theoretical DFT Study

Volume 25, Issue 3, May and June 2018, Pages 1354-1363

Saeed Chashmniam; Mohsen Tafazzoli