The accuracy of the systematic fragment approach to the estimation of molecular electronic energies is enhanced by a significantly improved treatment of nonbonded interactions between molecular fragments. Distributed electrostatic interactions, pairwise dispersion interactions, and many-body induction are evaluated from ab initio calculations of small molecular fragments. The accuracy of the co...

The investigation of the anticancer drugs will be important because of the proliferation ofcancer. We want to take steps to improve public health. The combination of two carbon nanotubes (singlewall nanotube and multi-wall nanotube) and Sup90-Dota (an anticancer drug) was investigated basedon Molecular Mechanic and Semi-Empirical methods. Our goal is to investigate the transfe...

We present a relativistic three-body equation to investigate the properties of nucleons in hot and dense nuclear/quark matter. Within the light front approach we utilize a zero-range interaction to study the three-body dynamics. The relativistic in-medium equation is derived within a systematic Dyson equation approach that includes the dominant medium effects due to Pauli blocking and self ener...

The energy spectrum of the three-particle Hamiltonian obtained by replacing the two-body trigonometric potential of the Sutherland problem by a three-body one of a similar form is derived. When expressed in appropriate variables, the corresponding wave functions are shown to be expressible in terms of Jack polynomials. The exact solvability of the problem with three-body interaction is explaine...

The energy spectrum of the three-particle Hamiltonian obtained by replacing the two-body trigonometric potential of the Sutherland problem by a three-body one of a similar form is derived. When expressed in appropriate variables, the corresponding wave functions are shown to be expressible in terms of Jack polynomials. The exact solvability of the problem with three-body interaction is explaine...

We present a formalism for the fermionic quasiparticle propagator in superfluid system. Starting from general many-body hamiltonian confined by two-body instantaneous interaction, equation of motion is obtained Dyson form. Before making any approximation, interaction kernel found to be decomposed into static and dynamical (time-dependent) contributions, while latter translates energy-dependent ...

stability of the π-π stacking interactions in the ben||n-substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben is benzene and || denotes π-π stacking interaction, and n-substituted-coronene is coronene molecule which substituted with different number of n atoms). the results reveal simultaneous effects of structure and number of heteroatom on th...

The dynamic characteristics of deflectable nose missiles with rotary single-channel control were investigated in this paper. Firstly, the effective angle of attack, effective angle of sideslip and quasi-body coordinates were introduced based on the spin characteristics of the missile’s body. Secondly, considering the interaction between the missile’s nose and body, the rigid kinetic model of mi...

Band mixing calculations in rapidly rotating well-deformed nuclei are presented, investigating the properties of energy levels and rotational transitions as a function of excitation energy. Substantial fragmentation of E2 transitions is found for Ex > ∼ 800 keV above yrast, which represents the onset of rotational damping. Above Ex ≈ 2 MeV, energy levels and E2 strengths display fluctuations ty...