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Experimental and theoretical studies on methanesulfonic acid 1-methylhydrazide: Antimicrobial activities of its sulfonyl hydrazone derivatives
(ELSEVIER SCIENCE BV, 2009)
Methanesulfonic acid 1-methylhydrazide (msmh) and its sulfonyl hydrazone derivatives, salicylaldehyde-N-methylmethanesulfonylhydrazone (salmsmh) and 2-hydroxy-1-naphthaldehyde-N-methylmethanesulfonylhydrazone (nafmsmh) ...
A first-principle study of Os-based compounds: Electronic structure and vibrational properties
(PERGAMON-ELSEVIER SCIENCE LTD, 2016)
The electronic structure, elastic, and phonon properties of OsM (M=Hf, Ti, Y and Zr) compounds are studied using first-principles calculations. Elastic constants of OsY and specific heat capacity of OsM (M=Hf, Ti, Y, and ...
Synthesis, characterization and antimicrobial activity of m-toluenesulfonamide, N,N '-1,2-ethanediylbis (mtsen) and [Cu(II)(phenanthroline)(2)]mtsen complex
(ELSEVIER SCIENCE BV, 2012)
M-toluenesulfonamide, N,N'-1,2-ethanediylbis (a disulfonamide compound, mtsen) and [Cu(II)(phenanthroline)(2)]mtsen compounds were newly synthesized. The molecular structure of mtsen was investigated by using elemental ...
Spectroscopic studies on 9H-carbazole-9-(4-phenyl) boronic acid pinacol ester by DFT method
(ELSEVIER SCIENCE BV, 2016)
9H-Carbazole-9-(4-phenyl) boronic acid pinacol ester (9-CPBAPE) molecule was investigated by FT-IR, Raman, UV vis, H-1 and C-13 NMR spectra. FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. ...
Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys
(ELSEVIER SCIENCE BV, 2018)
The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional ...
Computational investigations of mechanic, electronic and lattice dynamic properties of yttrium based compounds
(WORLD SCIENTIFIC PUBL CO PTE LTD, 2018)
Electronic, mechanic and lattice dynamic properties of yttrium-based compounds, X3Y, where X = Pd, Pt and Rh were investigated using the density functional theory. The electronic band calculations demonstrated that X3Y ...
Theoretical investigations of elastic and thermodynamic properties of LiXH4 compounds for hydrogen storage
(PERGAMON-ELSEVIER SCIENCE LTD, 2019)
The clean and environmentally friendly energy demand increases rapidly over the years. Hydrogen has been recognised as one of the best options to satisfy this demand. Utilisation of hydrogen as an energy carrier requires ...
Investigations of Structural, Elastic, Electronic and Thermodynamic Properties of X2TiAl Alloys: A Computational Study
(WALTER DE GRUYTER GMBH, 2018)
First-principle calculations have been adopted in order to reveal and deeply understand the structural, electronic, elastic, thermodynamic, and vibrational properties of full-Heusler X2TiAl (X = Au, Ru, and Zr) alloys in ...
Investigation of structural, electronic, elastic and phonon properties of cubic spinel ZnM2O4(M = Co, Rh and Ir) compounds
(ELSEVIER SCIENCE BV, 2019)
The results obtained from ab initio calculations on ZnM2O4 (M = Co, Rh and Ir) compounds have been reported. The elastic constants, Bulk, Shear and Young modulus, and Poisson's ratios of the compounds are presented. In ...
Ni(II)-tetrahedral complexes: Characterization, antimicrobial properties, theoretical studies and a new family of charge-transfer transitions
(PERGAMON-ELSEVIER SCIENCE LTD, 2013)
A new amine containing selenium and their five imine, (SeSchX)(X: -H, F, Cl, Br, CH3), and Ni (II) complexes, [Ni(SeSchnH(2)O)(2)]Cl/[Ni(SeSchCl)(H2O)Cl], were synthesized. The compounds were characterized by means of ...