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The reaction mechanism for nitrous oxide (N2O) direct decomposition into molecular nitrogen and oxygen was studied on binuclear iron sites in Fe-ZSM-5 zeolite using the density functional theory (DFT). Starting from the hydroxylated bi-iron complex ...
Highly water-soluble mixed monolayer protected "rippled'' gold nanoparticles were synthesized through a one step reaction with sodium 11-mercaptoundecanesulfonate and octanethiol ligands at various ratios. ...
The photo-curing behavior of composites containing nanosized SiO2 in an acrylated hyperbranched polymer matrix was investigated by means of photo differential scanning calorimetry. The chemical conversion data were analyzed using an autocatalytic model, pa ...
This article discusses the synthesis and properties of dendritic and hyperbranched polyamides. The first part of the article focuses on peptide dendrimers and starts with providing an overview of the synthetic pathways that have been used to prepare dendri ...
The solvent-free selective hydrogenation of 2-methyl-3-butyn-2-ol (MBY) to 2-methyl-3-buten-2-ol (MBE) was studied over a Pd/ZnO structured catalyst and compared to its behavior in water-assisted conditions. The catalytic behavior was correlated with the s ...
Linear amides, prepd. in one step by the Ugi four-component reaction, were converted to 3,4-dihydroquinoxalin-3-ones or to 2-(2-oxoindolin-1-yl)acetamides dependent on the catalytic conditions. While microwave irradn. was found to be determinant on the rea ...
The first catalytic method for the cyclization of vinyl-cyclopropyl ketones (formal homo-Nazarov reaction) is reported. Starting from activated cyclopropanes, heterocyclic and carbocyclic compounds were obtained under mild conditions using Brønsted acid ca ...
A new modelling framework, called μic, has been developed to enable simulations of complex particulate growths, in particular the microstructural evolution of hydrating cement paste. μic has been developed using the vector approach, which preserves the mul ...
Geometry and energy of the reactant (UO2(OH2)(5)center dot Cl+), the transition state (UO2(OH2)(5)center dot center dot center dot Cl+ double dagger), and the product (UO2Cl(OH2)(4)center dot OH2+) of the title reaction have been computed with complete act ...
In this review ligand exchange and complex formation reactions on fac-[(CO)3M(H2O)3]+ (M = Mn, Tc, Re) and on fac-[(CO)2(NO)Re(H2O)3]2+ are presented. A variety of experimental NMR techniques are described and it is shown that sometimes combinations of tec ...