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Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT analysis
(PERGAMON-ELSEVIER SCIENCE LTD, 2004-07-26)
The global and local electrophilicity indexes have been used to characterize the reactivity pattern of the C=C double bond towards nucleophilic addition reactions. A wide family of molecules including ketones, esters, ...
Nonacarbonyl[mu(3)-(1,2-diphenylethyl)-phenylphosphinito]triosmium(2 Os-Os)
(MUNKSGAARD INT PUBL LTD, 1997-03-15)
The reaction of 1,2,3-triphenylphosphirene with [H2Os3-(CO)(10)] leads to the title compound, [Os-3(CO)(9){(C6H5)(3)-C2PO}], which displays an open Os-3(CO)(9) cluster [Os-Os 2.703(1) and 2.867(2) Angstrom, and Os-Os-Os ...
The chemolithoautotroph Acidithiobacillus ferrooxidans can survive under phosphate-limiting conditions by expressing a C-P lyase operon that allows it to grow on phosphonates
(AMER SOC MICROBIOLOGY, 2008-03)
The chemolithoautotrophic bacterium Acidithiobacillus ferrooxidans is of great importance in biomining
operations. During the bioleaching of ores, microorganisms are subjected to a variety of environmental stresses
and ...
Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds
(Elsevier Ltd, 2019)
© 2018 Elsevier LtdThe development of sophisticated interatomic potentials for classical molecular dynamics and Monte Carlo simulations has several advantages, but also some drawbacks. One of them is the increase in their ...
Hydrogenation of Multiple Bonds by Geminal Aminoborane-Based Frustrated Lewis Pairs
(Wiley-VCH, 2018-06-21)
The hydrogenation reaction of multiple bonds that is mediated by geminal aminoborane-based frustrated Lewis pairs (FLPs) has been explored by means of density functional theory calculations. It was found that the release ...
Very long-range correlations ((n)J(C,H) n > 3) in HMBC spectra
(NATURAL PRODUCTS INC, 2008)
The structural elucidation of natural products and complex organic molecules relies heavily on the application of proton detected heteronuclear NMR. Among these techniques, the HMBC NMR experiment remains as the most popular ...
Electrochemical characterization of hydroquinone derivatives with different substituents in acetonitrile
(Royal Soc Chemistry, 2015)
The effect of carbonyl groups in the ortho position with respect to a hydroxyl group on the electrochemical oxidation of hydroquinones in acetonitrile is studied. The electrochemical response of hydroquinone on a glassy ...
Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon
(Elsevier, 2016)
The purpose of this study is to show that H-2 is easily dissociated on lithium edge decorated carbon systems to form strong C-H and Li-H bonds. This mechanism has not been considered in previous studies where these kinds ...
Voltammetric behavior of 3,5-dinitrobenzoic acid in solution on GCE and encapsulated on multiwalled carbon nanotube modified electrode
(Elsevier, 2016)
The cyclic voltammetric behavior of 3,5-dinitrobenzoic acid (3,5-DNB) in 0.1 M PBS of pH 7 was examined at a glassy carbon electrode (GCE). 3,5 -DNB was found to produce two irreversible reduction peaks corresponding to ...
Eggshell, a new bio-filler for polypropylene composites
(ELSEVIER SCIENCE BV, 2007-09)
Chicken eggshell (ES) is an industrial byproduct containing 95% calcium carbonate, and its disposal constitutes a serious environmental hazard. Different proportions of chicken eggshell as bio-filler for polypropylene (PP) ...