We present the first analytic implementation of cubic and quartic force constants at the level of Kohn–Sham density-functional theory. The implementation is based on an open-ended formalism for the evaluation of energy ...

Two forms, α and β, are known for the racemic amino acid DL-me­thio­nine, C5H11NO2S. The phase transition between them, taking place around 326 K, is associated with sliding at the central inter­faces of the hydro­phobic ...

A novel open tubular nanoproteomic platform featuring accelerated on-line protein digestion and high-resolution nano liquid chromatography mass spectrometry (LC-MS) has been developed. The platform features very narrow ...

Iso-octyl chain-hydroxylated oxysterols were determined in attomoles per 10,000 cells concentrations in 10,000–80,000 cultured pancreatic adenocarcinoma cells, using a sensitive, highly automated nano-LC-ESI-MS-based method. ...

In the title compound, C9H9IO3, the mol­ecules are close to planar [maximum deviation from benzene ring plane = 0.229 (5) Å for the methyl carboxylate C atom] with the methyl groups oriented away from each other. In the ...

In the title compound, C18H18O6, the biphenyl moiety is twisted with a dihedral angle of 29.11 (10)°. The carbometh­oxy groups form C-C-C-O torsion angles of -18.3 (3) and -27.7 (3)° with the attached rings, as a result ...

The N-representability problem is the problem of determining whether there exists N-particle states with some prescribed property. Here we report an affirmative solution to the fermion N-representability problem when both ...

It is well known that liquids confined to small nanoscopic pores and droplets exhibit thermal behavior very different from bulk samples. Less is known about liquids spontaneously confined through self-assembly into micellar ...

Luminescent europium titanium oxides (EuxTiyOz) have been deposited as thin films by atomic layer deposition (ALD) in the temperature range 225 to 375 °C with control of the stoichiometry from pure TiO2 to pure Eu2O3, and ...

Diffraction data were taken from the contribution named `β-DL-Me­thio­nine at 105 K' by Alagar et al. [Acta Cryst. (2005). E61, o1165-o1167]. Refinement of the coordinates of the three amino H atoms, previously constrained ...