[PDF][PDF] Density functional theory calculations of di-amino naphthalene
HI Abood - Journal of Babylon university, Pure snd Applied …, 2014 - iasj.net
Theoretical study for calculating molecular structure parameters of naphthalene and its
simplest derivatives with electron-donating groups (di-amino) in different positions were …
simplest derivatives with electron-donating groups (di-amino) in different positions were …
[PDF][PDF] Density Functional Theory Calculations for Diaminonaphthalene Molecules group
AT Mohi - University of Thi-Qar Journal of Science, 2014 - iasj.net
Theoretical studies for calculating molecular structure parameters of naphthalene and its
simplest derivatives with electron-donating groups (di-amino) in different positions were …
simplest derivatives with electron-donating groups (di-amino) in different positions were …
[PDF][PDF] STUDY OF THE EFFECT OF CYANO SUBGROUP ON THE ELECTRONIC PROPERTIES OF AZULENE MOLECULE: B3LYP-DFT CALCULATION
Theoretical study of the effect of cyano subgroup on the electronic properties of azulene
molecule was performed using DFT with B3LYP/6-31 (d, p) basis set. The optimized …
molecule was performed using DFT with B3LYP/6-31 (d, p) basis set. The optimized …
[PDF][PDF] Theoretical Study of Electronic Properties of Pyridine, Pyrimidine, Pyrazine and Pyridazine via Density Functional Theory
SR Salman - researchgate.net
Theoretical studies on pyridine, pyrimidine, pyrazine and pyridazine molecules were
performed using DFT. Based on B3LYP with 6-31 (d, p) basis sets was used to investigate …
performed using DFT. Based on B3LYP with 6-31 (d, p) basis sets was used to investigate …
[PDF][PDF] Study of The Effect of Nitrogen Atoms on The Electronic Properties of Azulene Ring: B3LYP/DFT Calculations
Theoretical study of the effect of adding nitrogen atoms in place of carbon atoms on the
electronic properties of azulene ring was performed using DFT with B3LYP/6-31 (d, p) basis …
electronic properties of azulene ring was performed using DFT with B3LYP/6-31 (d, p) basis …