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Toplam kayıt 1178, listelenen: 1094-1113
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Tetrakis(mu-4-methylbenzoato-kappa O-2:O ')bis[(isonicotinamide-kappa N)copper(II)]
(Int Union Crystallography, 2010)In the title centrosymmetric binuclear complex, [Cu-2(C8H7O2)(4)(C6H6N2O)(2)], the Cu atoms [Cu center dot center dot center dot Cu = 2.6375 (6) angstrom] are bridged by four 4-methylbenzoate (PMB) ligands. The four nearest ... -
Tetrakis(mu-4-methylbenzoato-kappa O-2:O ')bis[(N,N-diethylnicotinamide-kappa N-1)zinc(II)\]
(Wiley-Blackwell, 2010)In the centrosymmetric binuclear title complex, [Zn-2(C8H7O2)(4)(C10H14N2O)(2)], the Zn atoms [Zn center dot center dot center dot Zn' = 2.9494 (3) angstrom] are bridged by four 4-methylbenzoate (PMB) anions. The four ... -
Tetrakis[mu-4-(diethylamino)benzoato-kappa O-2:O ']bis[(N,N-diethylnicotinamide-kappa N-1)zinc(II)]
(Int Union Crystallography, 2009)In the centrosymmetric binuclear title complex, [Zn-2(C11H14NO2)(4)(C10H14N2O)(2)], the two Zn-II ions [Zn center dot center dot center dot Zn = 2.8874 (3) angstrom] are bridged by four 4-(diethylamino)benzoate (DEAB) ... -
Tetrakis[mu-4-(dimethylamino)benzoato-kappa O-2:O ']bis[(N,N-diethylnicotinamide-kappa N-1)zinc(II)]
(Int Union Crystallography, 2009)The title molecule, [Zn-2(C9H10NO2)(4)(C10H14N2O)(2)], is a centrosymmetric binuclear complex, with Zn atoms [Zn center dot center dot center dot Zn ' = 2.8927 (4) angstrom] bridged by four carboxylate groups from the ... -
Tetrakis[mu-4-(methylamino)benzoato-kappa O-2:O ']bis[(N,N-diethylnicotinamide-N-1)zinc(II)] dihydrate
(Int Union Crystallography, 2009)The title molecule, [Zn-2(C8H8NO2)(4)(C10H14N2O)(2)]center dot 2H(2)O, is a centrosymmetric binuclear complex, with two Zn-II ions [Zn center dot center dot center dot Zn' = 2.9301 (4) angstrom] bridged by four methylaminobenzoate ... -
Theoretical and experimental vibrational spectroscopic study of 3-piperidino-propylamine
(Elsevier Science BV, 2009)FT-IR and Raman spectra and the vibrational spectral assignments of 3-piperidino-propylamine (3-pipa) have been reported in the region of 4000-400 cm(-1) for the first time. The molecular geometry (bond lengths, bond angles ... -
Theoretical and infrared investigation of 2-acetylpyridine isolated in solid nitrogen and in neat condensed phases
(Elsevier Science BV, 2016)The geometries of the two conformers of 2-acetylpyridine (2AP) were optimized at the DFT/B3LYP/6-311++G(d,p) level of approximation, and their relative energy and interconversion barrier evaluated. Both conformers were ... -
Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus
(Walter De Gruyter GMBH, 2019)Density functional theory (DFT) method was used to compute the structural and vibrational parameters of favipiravir (T-705) in the gas phase. The functional used was B3LYP in conjuction with the 6-311++G(d,p) basis set. ... -
Theoretical Molecular Structure, Vibrational Frequencies and Nmr Investigations of 2-[(1E)-2-Aza-2-(5-Methyl(2-Pyridyl)Ethenyl)]-4-Bromobenzen-1-Ol
(Chem Soc Ethiopia, 2012)The normal mode frequencies and corresponding vibrational assignments, H-1 and C-13 NMR chemical shifts and structural parameters (bond lengths, bond and dihedral angles) of 2-[(1E)-2-aza-2-(5-methyl(2-pyridyl)ethenyl)]- ... -
A theoretical search on metal-ligand interaction mechanism in corrosion of some imidazolidine derivatives
(Elsevier Science BV, 2003)The interaction mechanism of some imidazolidine derivatives with metallic Zn in gas phase, using semiempirical methods, was studied at elevated temperature and the obtained data were used to search a possible correlation ... -
Theoretical studies on the structure of [(1-aza-2-benzimidazol-2-ylprop-1-enyl)amino]aminomethane-1-thione
(Arkat Usa Inc, 2007)The tautomerisation and acid-base properties of [(1-aza-2-benzimidazol-2-ylprop-1-enyl) amino]aminomethane-1-thione were studied both in the gas and aqueous phase to elucidate the structure of this compound. The computed ... -
A theoretical study of substituent effects on tautomerism of 2-hydroxybenzimidazoles
(Springer-Verlag, 2003)The geometries, relative stabilities of some 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives were calculated with full geometry optimization using AM1 and PM3 in aqueous phase. With the exception of molecules ... -
Thermal and Photoinduced Control of Relative Populations of 4-Methoxybenzaldehyde (p-Anisaldehyde) Conformers
(American Chemical Society, 2010)Two almost isoenergetic conformers of 4-methoxybenzaldehyde (p-anisaldehyde), O-trans and O-cis, are nearly equally populated in gas phase at room temperature. The existence of these two conformers of similar energy makes ... -
Thermal and SO2 adsorption properties of some clays from Turkey
(Springer, 2011)Thermal and structural properties of three clays (sepiolite and two kaolinites) from Turkey were studied by thermal analysis (TG-DTA), X-ray diffraction (XRD), X-ray fluorescence (XRF), Fourier transform infrared (FT-IR), ... -
Thermal behavior and immersion heats of selected clays from Turkey
(Springer, 2009)Four clays (two bentonites and two kaolinites) from Turkey were investigated by X-ray diffraction (XRD), thermal analysis (DTA/TG-DSC) and surface area measurement techniques. Mineralogically bentonite samples were ... -
Thermal behavior and water adsorption of natural and modified sepiolite having dolomite from Turkey
(Springer, 2008)The water adsorption properties of sepiolite having dolomite supplied from Eskisehir region and their exchanged forms (K+, Na+, Mg2+ and Ca2+) were investigated. The sepiolite samples were characterized using XRD, TG-DTA, ... -
Thermal decomposition of allantoin as probed by matrix isolation FTIR spectroscopy
(Pergamon-Elsevier Science LTD, 2009)The optimized geometries, energies of the possible conformers of allantoin (2,5-dioxo-4-imidazolidinyl urea, the diureide of glyoxylic acid) as well as the barriers for conformational interconversion have been calculated ... -
Thermal, Optical Properties and Structural Investigation of Tm3+ doped TeO2-ZnO-TiO2 Glass System
(E D P Sciences, 2010)Tellurite based infrared glasses in the Tm3+ doped TeO2-ZnO-TiO2 system were prepared and its optical properties and crystallization kinetics investigated by using UV-VIS-NIR spectrophometer and differential thermal analysis ... -
Thermal, structural and ethylene adsorption properties of Ag-, Cu- and Fe-modified bentonite from Turkey
(Springer, 2016)Thermal and structural properties of bentonite from Unye (Turkey) and that of Ag-, Cu-and Fe-modified forms were investigated by differential thermal analysis, thermogravimetric analysis, X-ray diffraction and surface area ... -
Thermally activated flux mechanism in Mg-doped InN epitaxial film
(Taylor & Francis LTD, 2017)The superconducting behaviour of InN has been observed in many experiments where the origin of superconductivity is addressed to presence of (i) In-In chains in ab-plane, (ii) specific carrier density range limited Mott ...