The reactions of propenyl magnesium halides with ethylene were studied using ab initio calculations. The structure of the transition state and the ground state were evaluated and obtained the structural properties, theoretical thermodynamic and kinetic data i.e. rate constants of the reactions. The methods used for calculations are RHF, B3LYP and MP2 with 6-31G* b...

We consider the abstract scattering structure of non homogeneous linearized Vlasov–Poisson equations from viewpoint trace class properties which are emblematic theory \[13, 14, 15, 19]. In dimension 1+1, we derive an original reformulation is class. It yields existence Moller wave operators. The background electric field periodic with 4 + $\\varepsilon$ bounded derivatives.

This paper scrutinizes the nonlinear multibubble model with considering bubble-bubble (BB) interaction in Cu?Al2O3/water hybrid nanofluid over vapour bubble radius Newtonian mediums. Firstly, we present derivation of extended Rayleigh-Plesset (ERP) equation under effect BB nanofluids based on Navier-Stokes equation. The is formulated by continuity equation, ERP and relations thermophysical feat...

Hybrid-parallel variants of Hartree-Fock, Kohn-Sham and Møller-Plesset second-level perturbation theory are described. Their efficiency with respect to the serial and MPI-based parallel implementations are measured and briefly analyzed. It is shown that while hybrid parallelization provide increased efficiency in all cases, the magnitude of the effect strongly depends on the features of the par...

This paper scrutinizes the nonlinear multibubble model with considering bubble-bubble (BB) interaction in Cu−Al2O3/water hybrid nanofluid over vapour bubble radius Newtonian mediums. Firstly, we present derivation of extended Rayleigh-Plesset (ERP) equation under effect BB nanofluids based on Navier-Stokes equation. The is formulated by continuity equation, ERP and relations thermophysical feat...