Abstract Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS 2 , MoSe MoTe WSe and WS substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among 35 TMD-dopant pairs: non-magnetic (NM), ferromagnetic out-of-plane s...

The structure of the title compound, C20H29NO2, is isotypic to that of its homologue 1-octylindoline-2,3-dione. The indoline ring and the two carbonyl-group O atoms are approximately coplanar, the largest deviation from the mean plane being 0.0760 (10) Å. The mean plane through the fused-ring system is nearly perpendicular to the mean plane passing through the 1-dodecyl chain [dihedral angle = ...

In the title compound, C18H13F2NO2, the two rings of the quinoline system are fused almost coaxially, with a dihedral angle between their planes of 2.28 (8)°. The plane of the attached benzene ring is inclined to the plane of the quinoline system by 7.65 (7)°. The carboxyl-ate group attached to the quinoline system is in an anti-periplanar conformation. There is a short intra-molecular C-H⋯O co...

The Kreweras complementation map is an anti-isomorphism on the lattice of noncrossing partitions. We consider an analogous operation for plane trees motivated by the molecular biology problem of RNA folding. In this context, we explicitly count the orbits of Kreweras’ map according to their length as the number of appropriate symmetry classes of trees in the plane. These new enumeration results...

The title compound, C(19)H(22)N(4)O(3)S, comprises a thienopyridine moiety which is characteristic for anti-platelet agents of the clopidogrel class of compounds. In the crystal, inversion dimers are formed through pairs of C-H⋯O inter-actions. The benzene ring plane and the nitro plane are almost coplanar, with a dihedral angle of 0.83 (2)°. The piperazine ring adopts a chair conformation.

We describe the space of isometric immersions from the Lorentz plane L into the anti-de Sitter 3-space H31, and solve several open problems of this context raised by M. Dajczer and K. Nomizu in 1981. We also obtain from the above result a description of the space of Lorentzian flat tori isometrically immersed in H31 in terms of pairs of closed curves with wave front singularities in the hyperbo...

Effective anti-plane quasistatic moduli for 2D piezoelectric phononic crystals of arbitrary anisotropy are formulated analytically using the plane-wave expansion (PWE) method and the recently proposed monodromy-matrix (MM) method. The latter approach employs Fourier series in one dimension with direct numerical integration along the other direction. As a result, the MM method converges much qui...