in this study, the interaction between no2+ cation and hen (n = 1-7) clusters is investigated by means of ab initio calculations at mp2/aug-cc-pvtz and qcisd/aug-cc-pvtz computational levels. the first and second solvation shells were obtained while n atom of no2+ interacts with five and two he atoms, respectively. stabilization energies of the studied complexes including basis set superpositio...

This paper is devoted to stability estimates for the interaction energy with radially symmetric potentials that are strictly decreasing in radial variable, such as Coulomb and Riesz potentials. For a general density function, we first prove estimate terms of $$L^1$$ asymmetry density, extending some previous results by Burchard–Chambers (Calc Var PDE 54(3):3241–3250, 2015; A result higher dimen...

In this study interaction of phenothiazine sulfur dye with (5, 5) armchair open-end boron nitride nanotubes (BNNTs) in interaction (with a length of 7 Å) was investigated. The impacts of the estereoelectronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions and total steric exchange energies on the structural and electronic properties and reactivity of ...

the binding of sodium n-dodecyl sulphate (sds) to histone h3 was studied in the ph range 3.2-10 by equilibrium dialysis at 27? and 3 7 ?c .t he binding data have been used to obtain the gibbs free energy of interaction using a theoretical model of the wyman binding potential; and the enthalpy of interaction from the temperature dependence of theequilibriumconstantsfronr thevan't hoff re1at...