classical trajectory (monte carlo) calculation is used to calculate collision rate constants of ion-quadrupolar molecule interactions for the h¯+c2h2 system. the method presented here takes into account the effect of the induced dipole-induced dipole potential on ion-quadrupolar molecule collision rate constants. it is also assumed that the colliding particles have a definite size. the thermal ...

Classical trajectory (Monte Carlo) calculation is used to calculate collision rate constants of ion-quadrupolar molecule interactions for the H¯+C2H2 system. The method presented here takes into account the effect of the induced dipole-induced dipole potential on ion-quadrupolar molecule collision rate constants. It is also assumed that the colliding particles have a d...

The global diabatic potential energy surfaces which are correlated with the ground state 1A' and the excited state 2A' of the Li(2p) + H2 reaction are presented in this study. The multi-reference configuration interaction method and large basis sets (aug-cc-pVQZ for H atom and cc-pwCVQZ for Li atom) were employed in the ab initio single-point energy calculations. The diabatic potential energies...

Although activation of the ErbB family of receptor tyrosine kinases (ErbB1-4) is driven by oligomerization mediated by intermolecular interactions between the extracellular, the kinase and the transmembrane domains, the transmembrane domain has been largely neglected in this regard. The largest contributor to the intramembrane electric field, the dipole potential, alters the conformation of tra...

Multireference configuration interaction and coupled cluster calculations have been carried out to determine the potential energy curves for the ground and low-lying excited states of the LiYb molecule. The scalar relativistic effects have been included by means of the Douglas-Kroll Hamiltonian and effective core potential and the spin-orbit couplings have been evaluated by the full microscopic...

in this paper, the interaction between an oscillating dipole moment and a silver nanoparticle has been studied. our calculations are based on mie scattering theory and discrete dipole approximation(dda) method.at first, the resonance frequency due to excitingthe localized surface plasmons has been obtained using mie scattering theory and then by exciting a dipole moment in theclose proximity of...

We present the formation of ultracold (85)Rb(133)Cs molecules in the (5)0(+) electronic state by photoassociation and their detection via resonance-enhanced two-photon ionization. Up to v = 47 vibrational levels including the lowest v = 0 vibrational and lowest J = 0 levels are identified with rotationally resolved high resolution photoassociation spectra. Precise Dunham coefficients are determ...

Structural transitions involving shape changes play an important role in cellular physiology. Charged micelles offer a convenient model system in which structural transitions can be suitably induced by increasing the ionic strength of the medium. In this paper, we have explored sphere-to-rod transition in charged micelles of SDS and CTAB by monitoring micellar dipole potential using the dual wa...