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The solvation model proposed by Fattebert and Gygi [J. Comput. Chem. 23, 662 (2002)] and Scherlis et al. [J. Chem. Phys. 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations encountered and extending its range of applicability. ...
The title compound, C10H18, a decalin stereoisomer, crystallizes with Z' = 0.5 in the space group P21/n. The trans-decalin molecule is located on an inversion centre with both rings in a chair conformation, making for a quasi-flat overall shape. Despite th ...
Treatment of a DMA solution of anilide 1 with a catalytic amount of palladium acetate (0.025 equiv) and XPhos (0.05 equiv) in the presence of potassium carbonate (2.0 equiv) at 100 C afforded dihydroquinolin-2-ones spiro-fused to dihydrofuranyl, indolinyl, ...
The title compound, (UO2)2Cl2(OH)2(H2O)4, was obtained unintentionally as the product of an attempted reaction between uranium(VI) oxide dihydrate, UO3⋅2H2O, and hydrogen bis(trifluoromethylsulfonyl)imide (HTf2N), in an experiment to obtain ...
Tumors consist of cells whose growth and morphological characteristics are markedly different from those of normal cells. Observation of human and animal models argue that tumor development proceeds via a process formally analogous to Darwinian evolution, ...
EPFL2009
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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 ...
The nickel pincer complex 1 catalyzes the cross-coupling of the title compounds with remarkable substrate scope and functional group tolerance. A nickel/alkynyl species was isolated and shown to be catalytically competent. THF=tetrahydrofuran, O-TMEDA=bis[ ...
The title compound, C5H10N2S5, was unintentionally obtained as the product of an attempted synthesis of a methyl-carbamodithioic acid using methylamine and carbon disulfide. In the molecule, two dithiocarbamate groups are bridged by a -CH2S- unit. The C-S- ...
As living systems understanding got better, as life could be modeled in a batch, using immortalized cells, researches in fundamental sciences found startling applications of advanced techniques on living systems. As the biomaterial field developed various ...
Abstract: Activated cyclopropanes, such as vinyl and carbonyl cyclopropanes, are useful building blocks in organic chemistry due to their exceptional reactivity. This review focuses on the use of cyclopropyl carbonyls and imines in cyclization and cycloadd ...
