ground state geometries have been computed using density functional theory (dft) at b3lyp/6-31g(d,p) level of theory. the excitation energies and spectroscopic parameters have been computed using long range corrected (lc) hybrid functional by time dependent density functional theory (tddft) with lc-blyp level of theory. the polarizable continuum model (pcm) has been used for evaluating bulk sol...

We investigate experimentally attractor bubbling in a system of two coupled hyperchaotic electronic circuits. The degree of synchronization over a range of coupling strengths for two different coupling schemes is measured to identify bubbling. The circuits display regimes of both attractor bubbling and high-quality synchronization. For the coupling scheme where high-quality synchronization is o...

We study synchronization transitions in a system of two coupled self-sustained chaotic oscillators. We demonstrate that with the increase of coupling strength the system first undergoes the transition to phase synchronization. With a further increase of coupling, a new synchronous regime is observed, where the states of two oscillators are nearly identical, but one system lags in time to the ot...

stability of the ;-; stacking interactions in the substituted-coronene||cyclooctatetraene complexes wasstudied using the computational quantum chemistry methods (where || denotes ;–; stackinginteraction, and substituted-coronene is coronene which substituted with four similar x groups; x =oh, sh, h, f, cn, and no). there are meaningful correlations between changes of geometricalparameters and t...

The dependence of the spin-orbit-coupling constant of the six low-lying electronic states of Ar2(+) and Kr2(+) on the internuclear distance R has been calculated ab initio. The spin-orbit-coupling constant varies by about 10% over the range of internuclear distances relevant for the interpretation of the high-resolution photoelectron spectra of Ar2 and Kr2 and can be accurately represented by a...