EKB Journal Management System
Keywords = density functional theory (DFT)
Number of Articles: 2
1

Electronic Structure, Spectra and Chemical Reactivity Descriptors of Some Novel Rhodanine Derivatives. Density Functional Theory Approach

Volume 66, Issue 13, December 2023, Page 483-497
Mahmoud Sharaf; hussein moustafa; Rifaat H Hilal
2

The Quantum-Chemistry Calculations of Electronic Structure of Boron Nitride Nanocrystals with Density Functional Theory Realization

Volume 62, The First International Conference on Molecular Modeling and Spectroscopy 19-22 February, 2019, July 2019, Page 21-27
Dilshod D. Nematov; Amondullo S. Burhonzoda; Mirzoaziz A. Khusenov; Kholmirzo T. Kholmurodov; Medhat A.A. Ibrahim