NLTE radiative transfer calculations of differentially expanding supernovae atmospheres are computationally intensive and are almost universally performed in time-independent snapshot mode, where both the radiative transfer problem and the rate equations are solved assuming the steady-state approximation. The validity of the steadystate approximation in the rate equations has recently been ques...

In a recent Science paper, Stahl and co-workers describe direct C(sp3)−H methylation via Ni-catalyzed cross-coupling of radical pair deriving from divergent hydrogen atom transfer (HAT) C–Me cleavage pathways in photogenerated alkoxyl radical. The implications these findings for the rapidly expanding field C−H are discussed. Replacing bond drug lead molecule with methyl group can induce profoun...

Three compounds, each derived from Fentanyl and differing essentially only in the length of a carboxylic acid chain, were synthesized and yielded four crystal structures three of which share several structural similarities, including the length of the chain, while the fourth, with a shorter chain, is quite different. The chain length has a significant influence on the crystal structures formed....

The B3LYP/6-31++G** density functional calculations were used to obtain minimum geometries and interaction energies between the molecular hydrogen and nanostructures of fullerenes, C20 (cage), C20 (bowl), C19Si (bowl, penta), C19Si (bowl, hexa). The H2 molecule is set as adsorbed in the distance of 3Å at vertical position from surface above the pentagonal and hexagonal sites of nanostructures. ...