A new family of β-diketiminate-stabilized highly electrophilic monomeric aluminium cations with alkoxy substituents have been introduced. The Guttman–Beckett method and hydride ion affinity calculations affirm that groups enhance the electrophilicity these cations. We also illustrate their catalytic application for reactions such as ether activation, hydrosilylation alkene carbonyls. More infor...

Regional development classification is one way to look at differences in levels of development outcomes. Some frequently used methods are the shift share, Gain index, the Iindex Williamson and Klassen typology. The development of science in the field of data mining, offers a new way for regional development data classification. This study discusses how the decision tree is used to classify the ...

We herein report on the usefulness of the reactivity indices profiles along a reaction coordinate. The model is tested to fully describe the reaction mechanism of the title reactions. Group nucleophilicity and electrophilicity profiles help describe the bond-breaking/bond-formation processes and the intramolecular electron density reorganization. The reactivity indices' profile analysis is cons...

Structural and dynamic properties of the building block of silica nanowires, (SiO2)6, are investigated by Born-Oppenheimer quantum molecular dynamics simulations. Thirteen conformers have been identified, seven of which have not been reported before. The energy component analysis shows that the lower electrostatic interaction differentiates the global minimum from the other structures. We also ...

The [3 + 2] cycloaddition reaction between carbonyl ylides generated from epoxides and ketones (ethyl pyruvate, ethyl phenylglyoxylate, isatin, N-methylisatin and 5-chloroisatin) to give substituted dioxolanes and spirocyclic dioxolane indolinones was investigated. The effect of microwave irradiation on the outcome of the reaction was studied. The thermal reaction between 2,2-dicyano-3-phenylox...

The reactivity of a series of substituted vinyl ketone nitroxides with an integral membrane protein, the Na,K-ATPase, is described. Increasing the electrophilicity of the conjugated double bond enhances reactivity markedly, with some spin labels showing higher reactivity than the conventionally used maleimide derivatives. The spectroscopic characteristics of the spin-labeled protein are also be...