in this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. x-ben||taz∙∙∙y1,y2,y3 complexes (x = cn, f, cl, br, ch3 , oh and nh2, taz= s-triazine and y1,y2 and y3 denotes ph2f, hsf, and clf molecules) is introduced as a model. the results show that inte...

the effects of substituents on the symmetry and the nature of halogen bonds in [n∙∙∙x∙∙∙n]+-type systems are presented for the yc5h4n∙∙∙x∙∙∙nc5h5 (y = no2, cn, h, ch3, och3, oh, nh2, x = cl, br, i) complexes. some structural parameters, energy data and electronic properties were explored with the density functional theory (dft) calculations. in addition, electrostatic potentials were used in es...

The ETS-NOCV analysis was applied to describe the σ-hole in a systematic way in a series of halogen compounds, CF3-X (X = I, Br, Cl, F), CH3I, and C(CH3)nH3-n-I (n = 1,2,3), as well as for the example germanium-based systems. GeXH3, X = F, Cl, H. Further, the ETS-NOCV analysis was used to characterize bonding with ammonia for these systems. The results show that the dominating contribution to t...

We construct a model for the formation of black holes within galactic bulges. The initial state is a slowly rotating isothermal sphere, characterized by effective transport speed aeff and rotation rate Ω. The black hole mass is determined when the centrifugal radius of the collapse flow exceeds the capture radius of the central black hole. This model reproduces the observed correlation between ...

In our previous work, using luminosity and the Hβ FWHM as surrogates for black hole mass (MBH), we compared the black hole masses of narrow-line Seyfert 1 galaxies (NLS1s) and broad-line Seyfert 1 galaxies (BLS1s) in a sample of soft X-ray selected active galactic nuclei. We found that the distributions of black hole masses in the two populations are statistically different. Recent work shows t...

In our previous work, using luminosity and the Hβ FWHM as surrogates for black hole mass (MBH), we compared the black hole masses of narrow-line Seyfert 1 galaxies (NLS1s) and broad-line Seyfert 1 galaxies (BLS1s) in a sample of soft X-ray-selected active galactic nuclei. We found that the distributions of black hole masses in the two populations are statistically different. Recent work shows t...

Motivated by the observed correlation between black hole masses Mbh and the velocity dispersion σ of host galaxies, we develop a theoretical model of black hole formation in galactic bulges (this paper generalizes an earlier ApJ Letter). The model assumes an initial state specified by a a uniform rotation rate Ω and a density distribution of the form ρ = aeff/2πGr 2 (so that aeff is an effectiv...