Zobrazeno 1 - 10
of 102
pro vyhledávání: '"Saadullah G. Aziz"'
Autor:
Shaaban A. Elroby, Khalid H. Aloufi, Saadullah G. Aziz, Abdesslem Jedidi, Walid I. Hassan, Osman I. Osman
Publikováno v:
Results in Chemistry, Vol 6, Iss , Pp 101034- (2023)
This study provides a complete analysis of the electronic and photophysical properties of, the derivative of uracil, IsoOrotic (IOA) azo dyes. The ability of the dye to work as an excited state intramolecular proton transfer (ESIPT) was investigated
Externí odkaz:
https://doaj.org/article/f7131e138cd14cadbe43b52ee151a4b0
Autor:
Jamilah A. Asiri, Walid M. I. Hasan, Abdesslem Jedidi, Shaaban A. Elroby, Saadullah G. Aziz, Osman I. Osman
Publikováno v:
Molecules, Vol 28, Iss 19, p 6952 (2023)
We report on organoboron complexes characterized by very small energy gaps (ΔEST) between their singlet and triplet states, which allow for highly efficient harvesting of triplet excitons into singlet states for working as thermally activated delaye
Externí odkaz:
https://doaj.org/article/755f71c7b7604fd596b974617d02d02d
Autor:
Fowzia S. Alamro, Dina A. Tolan, Ahmed M. El-Nahas, Hoda A. Ahmed, Mohamed A. El-Atawy, Nada S. Al-Kadhi, Saadullah G. Aziz, Mohamed F. Shibl
Publikováno v:
Molecules, Vol 27, Iss 13, p 4150 (2022)
The thermal stability and mesomorphic behavior of a new biphenyl azomethine liquid crystal homologues series, (E)-4-(([1,1′-biphenyl]-4-ylmethylene)amino)phenyl 4-(alkoxy)benzoate, In, were investigated. The chemical structures of the synthesized c
Externí odkaz:
https://doaj.org/article/d2794ceeb8af403aad79b11b1e3a0faf
Publikováno v:
International Journal of Molecular Sciences, Vol 16, Iss 11, Pp 26347-26362 (2015)
The gas-phase thermal tautomerization reaction between imidazole-4-acetic (I) and imidazole-5-acetic (II) acids was monitored using the traditional hybrid functional (B3LYP) and the long-range corrected functionals (CAM-B3LYP and ωB97XD) with 6-311+
Externí odkaz:
https://doaj.org/article/2298c605e9354ccba1c151445b15271b
Autor:
Saadullah G. Aziz, Abdulrahman O. Alyoubi, Shaaban A. Elroby, Osman I. Osman, Rifaat H. Hilal
Publikováno v:
International Journal of Molecular Sciences, Vol 16, Iss 4, Pp 6783-6800 (2015)
The present study aims at a fundamental understanding of bonding characteristics of the C–Br and O–Br bonds. The target molecular systems are the isomeric CH3OBr/BrCH2OH system and their decomposition products. Calculations of geometries and freq
Externí odkaz:
https://doaj.org/article/ba0fd8bf40cd4ad195b22b1da5f64664
Autor:
Azhr A. Raheem, Martin Wilke, Mario Borgwardt, Nicholas Engel, Sergey I. Bokarev, Gilbert Grell, Saadullah G. Aziz, Oliver Kühn, Igor Yu. Kiyan, Christoph Merschjann, Emad F. Aziz
Publikováno v:
Structural Dynamics, Vol 4, Iss 4, Pp 044031-044031-15 (2017)
The kinetics of ultrafast photoinduced structural changes in linkage isomers is investigated using Na2[Fe(CN)5NO] as a model complex. The buildup of the metastable side-on configuration of the NO ligand, as well as the electronic energy levels of gro
Externí odkaz:
https://doaj.org/article/bfd176816a0f4f7eb1dc7e97f5274dbf
Does Prop-2-ynylideneamine, HC≡CCH=NH, Exist in Space? A Theoretical and Computational Investigation
Publikováno v:
International Journal of Molecular Sciences, Vol 15, Iss 6, Pp 11064-11081 (2014)
MP2, DFT and CCSD methods with 6-311++G** and aug-cc-pvdz basis sets have been used to probe the structural changes and relative energies of E-prop-2-ynylideneamine (I), Z-prop-2-ynylideneamine (II), prop-1,2-diene-1-imine (III) and vinyl cyanide (IV
Externí odkaz:
https://doaj.org/article/10c91a9f9fa3445cbd7970d936c49c97
Publikováno v:
Structural Dynamics, Vol 3, Iss 6, Pp 062601-062601-11 (2016)
The Frenkel exciton model was adapted to describe X-ray absorption and resonant inelastic scattering spectra of polynuclear transition metal complexes by means of the restricted active space self-consistent field method. The proposed approach allo
Externí odkaz:
https://doaj.org/article/3bfd6935e3534cd39b6c168d0c30e89c
Autor:
Saadullah G. Aziz, Rifaat H. Hilal, Shabaan A. K. Elroby, Osman I. Osman, Abdulrahman O. Alyoubi
Publikováno v:
International Journal of Molecular Sciences, Vol 13, Iss 11, Pp 15360-15372 (2012)
The MP2 and DFT/B3LYP methods at 6-311++G(d,p) and aug-cc-pdz basis sets have been used to probe the origin of relative stability preference for eclipsed acetaldehyde over its bisected counterpart. A relative energy stability range of 1.02 to 1.20 kc
Externí odkaz:
https://doaj.org/article/c9deca3b010b4b5c94b61799c4c6c5d3
Autor:
Safiyah A. Hejazi, Osman I. Osman, Abdulrahman O. Alyoubi, Saadullah G. Aziz, Rifaat H. Hilal
Publikováno v:
International Journal of Molecular Sciences, Vol 17, Iss 11, p 1893 (2016)
The gas-phase thermal tautomerization reaction between 2-hydroxypyridine (2-HPY) and 2-pyridone (2-PY) was investigated by applying 6-311++G** and aug-cc-pvdz basis sets incorporated into some density functional theory (DFT) and coupled cluster with
Externí odkaz:
https://doaj.org/article/9e8bf4f91ee14e4a8c4240dd2e79860e