Single-polymer dynamics of starch-like branched ring polymers in steady shear flow.

The stretching dynamics and dynamical behaviors of individual branched ring polymer (BRP), a coarse-grained model for some types of the starch, in steady shear flow are studied by using a hybrid mesoscale simulation approach that combines multiparticle collision dynamics with standard molecular dynamics. By analyzing the stretched configuration of BRPs, we find the polymer size increases nonmonotonically with increasing branch length. Meanwhile, the decrease of the alignment angle of the stretched configuration of BRPs follows a universal power law during the first downward phase as the shear rate increases.

Ab Initio Calculation of Ground- and Low-Excited-State Spectroscopic Data and Transition Properties of SBr.

In this paper, potential energy curves of Λ- and Ω states of SBr are reported for the first time, and the spectrum data of some low excited bound states are obtained. The differences in the spectrum properties of main-group molecules and SBr were compared and analyzed, providing a sufficient theoretical basis for the subsequent study of main-group molecules. The avoided crossing that occurs in the Ω state is analyzed, and finally it is concluded that this phenomenon mainly occurs in the energy region between 20,000 and 40,000 cm that is relative to the minimum energy value.