Browsing Öksüz Yayınlar Koleksiyonu - WoS by Title
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Theoretical evaluation of triazine derivatives as steel corrosion inhibitors: DFT and Monte Carlo simulation approaches
(SPRINGER, 2016)Density functional theory (DFT) calculations and atomistic Monte Carlo simulations were performed on hexahydro-1,3,5-triphenyl-s-triazine (Inh1), hexahydro-1,3,5-p-tolyl-s-triazine (Inh2), hexahydro-1,3,5-p-methoxyphenyl ... -
Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms
(ELSEVIER SCIENCE BV, 2017)Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies ... -
Theoretical investigation on the vibrational and electronic spectra of three isomeric forms of dicobalt octacarbonyl
(ELSEVIER SCIENCE BV, 2014)Three isomeric forms of dicobalt octacarbonyl, [Co-2(CO)(8)], with C-2v, D-3d and D-2d point group were optimized by using density functional theory (DFT/B3LYP) method with LANL2DZ basis set for the cobalt atoms and 6-31G(d) ... -
Theoretical modeling and molecular level insights into the corrosion inhibition activity of 2-amino-1,3,4-thiadiazole and its 5-alkyl derivatives
(ELSEVIER SCIENCE BV, 2016)Density functional theory (DFT) with two functionals, namely B3LYP and CAM-B3LYP with the 6-311 + +G(d,p) basis set was performed on six 2-amino-5-alkyl-1,3,4-thiadiazole derivatives (IC-2 to IC-13) used as corrosion ... -
Theoretical spectroscopic study of seven zinc(II) complex with macrocyclic Schiff-base ligand
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)Seven zinc complexes, which are [ZnL1](2+), [ZnL2](2+), [ZnL3](2+), [ZnL4](2+), [ZnL5](2+), [ZnL6](2+) and [ZnL7](2+), are studied as theoretically. Structural parameters, vibration frequencies, electronic absorption spectra ... -
Theoretical study on the antitumor properties of Ru(II) complexes containing 2-pyridyl, 2-pyridine-4-carboxylic acid ligands
(ELSEVIER SCIENCE BV, 2017)[Ru(bipy)(2)(CppH)](2+) (1), [Ru(bipy)(2)(Cpp-NH-Hex-COOH)](2+) (2), [Ru(dppz)(2)(CppH)](2+) (3) and [Ru(dppz)(2)(Cpp-NH-Hex-COOH)](2+) (4) were calculated by Hartree-Fock (HF), Density Functional Theory (DFT) hybrid B3LYP ... -
Theoretical study on the ground state intramolecular proton transfer (IPT) and solvation effect in two Schiff bases formed by 2-aminopyridine with 2-hydroxy-1-naphthaldehyde and 2-hydroxy salicylaldehyde
(SPRINGER, 2009)The tautomerization mechanism the isolated and monohydrated forms of two Schiff bases 1 and 2, and the effect of solvation on the proton transfer from enol-imine form to the keto-enamine form have been investigated using ... -
Theoretical study on the investigation of antioxidant properties of some hydroxyanthraquinones
(TAYLOR & FRANCIS LTD, 2016)Anthraquinones are located in an important class of natural compounds having antioxidant properties. Quantum chemical calculations based on the density functional theory were employed to study the relationship between the ... -
Theoretical Study on the Self- and Water-Assisted Proton Transfer Reaction of Urazole
(SPRINGER, 2014)The proton transfer reactions of urazole have been investigated theoretically by using the density functional theory at the B3LYP/6-311++G(d,p) level and single-point MP2 calculations with the same basis set. The influence ... -
Therapeutic and prophylactic effects of strontium on radiotherapy-induced skin toxicity in rats
(TURKISH SOC DERMATOLOGY VENEROLOGY, 2017)Background and Design: This study aimed to investigate whether 5% strontium (Sr) chloride hexahydrate has preventive or therapeutic effects on the radiotherapy (RT)-induced adverse skin effects. Materials and Methods: ... -
Therapeutic approaches in tracheal stenosis: analysis of fifteen cases
(EKIN TIBBI YAYINCILIK LTD STI-EKIN MEDICAL PUBL, 2010)Background: In this study, results of treatment of patients who had tracheal stenosis were evaluated. Methods: The clinical records of 15 patients (6 males, 9 females; mean age 39+/-23.2 years; range 8 to 70 years) who ... -
The therapeutic effect of continuous intracisternal L-arginine infusion on experimental cerebral vasospasm
(SPRINGER-VERLAG WIEN, 2001)Background. Recent studies on the pathogenesis of cerebral vasospasm following subarachnoid haemorrhage (SAH) suggest a breakdown of the balance between the vasoconstrictor and vasodilator systems. A shortage of a major ... -
Therapeutic outcome and prognostic factors in patients with pleural mesothelioma
(ELSEVIER IRELAND LTD, 2005)… -
Therapeutic plasma exchange in patients with thrombotic thrombocytopenic purpura: A retrospective multicenter study
(PERGAMON-ELSEVIER SCIENCE LTD, 2013)Thrombotic thrombocytopenic purpura (TIT) is a particular form of thrombotic microangiopathy typically characterized by thrombocytopenia, microangiopathic hemolytic anemia, fever, neurological abnormalities, and renal ... -
Therapeutic Proteins: A to Z
(BENTHAM SCIENCE PUBL LTD, 2013)In recent years, therapeutic proteins have become an important growing class of drugs in the pharmaceutics industry. The development of recombinant DNA technology has caused to appreciation of therapeutic value of many ... -
Therapeutic Targeting of microRNAs in Cancer: Future Perspectives
(WILEY-BLACKWELL, 2015)The discovery of microRNAs (miRNAs) and their link with cancer has opened a new era in cancer therapeutics. Approximately, 18-24 nucleotides long, miRNAs can up-regulate or down-regulate gene expression in many cancer types ... -
Therapeutic Use of Heat Shock Proteins and Essential Factors in Prognosis, Diagnosis and Treatment of Neurodegenerative and Metabolic Diseases
(BENTHAM SCIENCE PUBL LTD, 2010)… -
Thermal characterization of n-alkyl maleate-styrene-allyl propionate terpolymers
(JOHN WILEY & SONS INC, 2007)Thermal characterization of maleic anhydride-styrene-allyl propionate (MA-St-AP) terpolymer and its ester derivatives named as n-alkyl maleate and shown as nPr MA-St-AP, nBu MA-St-AP, nPn MA-St-AP, and nBz MA-St-AP was ... -
Thermal conductivity of rocks and its variation with uniaxial and triaxial stress
(PERGAMON-ELSEVIER SCIENCE LTD, 2004)One of the prime tasks of a mining engineer is to calculate the mine cooling load necessary for mine air conditioning system, which must provide suitable working conditions for the work force primarily at the working faces. ... -
THERMAL GELATION OF POLY(VINYL CHLORIDE)
(JOHN WILEY & SONS LTD, 1995)The dynamic and isothermal gelation points of poly(vinyl chloride) (PVC) were determined using spectrophotometric and viscometric techniques. Four different PVC samples, with viscosity-average molar masses of 70000, 90000, ...