We investigate the effects of the odd-state part of bare ΛΛ interactions on the structure of neutron stars (NSs) by constructing equations of state (EOSs) for uniform nuclear matter containing Λ and Σ hyperons with use of the cluster variational method. The isoscalar part of the Argonne v18 two-nucleon potential and the Urbana IX three-nucleon potential are employed as the interactions between ...

A competition between the terminal fluorine and hydroxyl groups by the central hydroxyl group as hydrogen bond donor in 3-fluoro-1,2-propanediol would be expected to dictate the conformational isomerism of this compound, but also the repulsion between the electronegative and bulky vicinal substituents. Indeed, an intramolecular hydrogen bond has been verified only for a local minimum using QTAI...

Boron and arsenic triiodides (BI3 and AsI3, respectively) are similar molecules that differ mainly in their geometries. BI3 is a planar trigonal molecule with D3h symmetry, while AsI3 exhibits a trigonal pyramidal shape with C3v symmetry. Consequently, the As atom of the AsI3 molecule has three σ-holes, whereas the B atom of the BI3 molecule has two symmetrical π-holes. Additionally, there are ...

In organic molecules a divalent sulfur atom sometimes adopts weak coordination to a proximate heteroatom (X). Such hypervalent nonbonded S···X interactions can control the molecular structure and chemical reactivity of organic molecules, as well as their assembly and packing in the solid state. In the last decade, similar hypervalent interactions have been demonstrated by statistical database a...

Regioselective cycloaddition of dialkylsilylene upon irradiation at 440 nm converts azulene and guaiazulene to bicyclic [4]dendralene and heptafulvene derivatives, respectively. Significant σ-π interactions in the resulting new silacycles were suggested using UV-vis spectra and theoretical calculations.

In this Note, we consider traveling waves in a reaction-diffusion equation dimension one. Motivated by the motion of dislocations crystals, introduce an additive parameter σ reaction term, which may be interpreted as exterior force applied on crystal. Under certain natural assumptions and for every value σ∈[σ - ,σ + ], show existence ϕ velocity c. The range σ∈(σ ) corresponds to bistable cases ...

The possibility for Au(III) σ-cyclopropyl complexes to undergo ring-opening and give π-allyl was interrogated. transformation first evidenced within (P,C)-cyclometalated complexes, it occurs hours at –50°C. It then generalized other ancillary ligands. With (N,C)-cyclometalated the rearrangement room temperature while proceeds already –80°C with a dicationic (P,N)-chelated complex. Density Funct...