The Vlasov equation is used to determine the dispersion relation for the eigenmodes of magnetized nuclear and neutral stellar matter, taking into account the anomalous magnetic moment of nucleons. The formalism is applied to the determination of the dynamical spinodal section, a quantity that gives a good estimation of the crust-core transition in neutron stars. We study the effect of strong magnetic fields, of the order of 10 15 -10 17 G, on the extension of the crust of magnetized neutron stars. The dynamical instability region of neutron-proton-electron (npe) matter at subsaturation densities is determined within a relativistic mean-field model. It is shown that a strong magnetic field has a large effect on the instability region, defining the crust-core transition as a succession of stable and unstable regions due to the opening of new Landau levels. The effect of the anomalous magnetic moment is non-negligible for fields larger than 10 15 G. The complexity of the crust at the transition to the core and the increase of the crust thickness may have direct impact on the properties of neutrons stars related with the crust.
A visible-light-promoted cascade cyclization towards benzo[d]imidazo[5,1-b]thiazoles under metal- and photocatalyst-free conditions has been developed.
Following a previous work, we have assessed the feasibility
of MP2/CBS(d, t) as an alternative
to state-of-the-art density functionals. The effect of using augmented
basis sets is here tested on the 76 barrier heights and 10 isomerization
reactions previously utilized. Moreover, calculations for 20 sets
of the GMTKN24 database for thermochemistry, kinetics, and noncovalent
interactions have been performed. For the density functional theory
calculations, M06-2X and B3LYP-D3 functionals are utilized as two
representative functionals, while MP2 and CCSD(T) methods are employed
as the ab initio counterparts. The results show that MP2 calculations
perform similarly to the ones obtained with M06-2X insofar as accuracy
and computational cost are concerned. For all methods, the use of
augmented basis sets yields enhanced results for anionic systems when
compared with the ones from non-augmented bases. Otherwise, the basis-set
change effect is found to be minimal. It is therefore concluded that
the use of large basis sets is unjustified when facing the increase
in computational cost.
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