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Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
tautomerism acidity constant nucleophilicity
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2010/12/29
The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and...
Chemical composition and antimicrobial activity of the essential oils of mosses (Tortula muralis Hedw., Homalothecium lutescens (Hedw.) H. Rob., Hypnum cupressiforme Hedw., and Pohlia nutans (Hedw.) Lindb.) from Turkey
Tortula muralis Homalothecium lutescens Hypnum cupressiforme
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2010/12/3
The essential oils of mosses [Tortula muralis Hedw. (Pottiaceae), Homalothecium lutescens (Hedw.) H. Rob. (Brachytheciaceae), Hypnum cupressiforme Hedw. (Hypnaceae), and Pohlia nutans (Hedw.) Lindb. (...
Development of a New Set of Additive Parameters for the Estimation of Geometrical Distortion of Cycloalkanes from C-13 NMR Chemical Shifts
Additivity parameters C-13 NMR chemical shifts geometrical distortion cycloalkanes
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2010/4/16
A previous model for the calculation of C-13 chemical shifts is modified by replacement of 3 parameters representing the p-character of carbon atom in cyclic systems with a single parameter aiming for...
The Kinetic Study of the Chemical Oscillating System of 1,3-Propanediol/Acetone as the Organic Substrate
Oscillation 1,3-propanediol Acetone Mixed substrates
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2010/4/21
This work was primarily an experimental investigation of the bromate oscillator using 1,3-propanediol and acetone as the mixed organic substrates. The empirical equation of the induction period and os...
Chemical Exfoliation Characteristics of Karakoç Phlogopite in Hydrogen Peroxide Solution
chemical exfoliation hydrogen peroxide phlogopite swelling vermiculite
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2010/4/22
The chemical exfoliation characteristics of phlogopite samples taken from Sivas - Yıldızeli-Karakoç (Turkey) ore were investigated. H2SO4, HCl, HNO3, H3PO4 and H2O2 solutions at varyi...
Chemical Constituents of Centaurea cuneifolia
Centaurea cuneifolia Compositae sesquiterpene lactones elemanolide lignan flavonoids triterpenes steroids
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2010/6/29
The whole plant material fo Centaurea cuneifolia Sm. afforded three sesquiterpene lactones; cnicin (1), dehydromelitensin (2) and dehydromelitensin-8-[(2'-a-hydroxy-b- hydroxyethyl)-acryloyl)] (3), th...
Potential Utilization of Fusel Oil: A Kinetic Approach for Production of Fusel Oil Esters Through Chemical Reaction
fusel oil esterification kinetics
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2010/7/1
Fusel oil is a by-product of the distillation of ethyl alcohol from the fermentation of molasses and contains mainly C3-C5 alcohols. Acetic acid and butyric acid esters of its major alcohol components...
A Quantum-Chemical Investigation on 5,5'-BI(1H-1.2,4-Triazole))
Quantum-Chemical Investigation 5,5'-BI(1H-1.2,4-Triazole))
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2010/8/15
The conformational analysis of flexible 5,5'-bi(1H-1,2,4-triazole) molecule containing various reaction centers has been performed by the semiempirical methods MNDO,AM1 and PM3, and the internal rotat...