The results of the new concept of coastal sea circulation are demonstrated by numerical simulations for the first time.The numerical experiments in three types of rectangular model seas illustrate the dependence of circulation on tidal phases due to the convectively nonlinear effect which is estimated by a newly defined drift dispersion index.Then,the present theory is applied in the Bohai Sea of China.At the Bohai Straits and the Huanghe River mouth area the circulation direction even reverses owing to different initial tidal phases which shows that the theory copes with nonlinearity well.The calculated M2 tide-induced residual circulation shows that a clockwise gyre exists in the center of an anticlockwise gyre in the central Bohai Sea due to the topographic features.In the Bohai Gulf the tide induced circulation shows a 3D structure with outflow at the surface and the inflow at the bottom which can partly explains the spread of the Huanghe River fresh water out of the Bohai Gulf and the inflow of the sediment from the Huanghe River.
The frontier molecular orbitals (HOMO and NHOMO) of CF2BrCl molecule have been firstly investigated by (e,2e) electron momentum spectroscopy. The experimental momentum profiles are compared with the theoretical profiles employing Hartree-Fock and density functional theory with 6-31G and 6-311+G(d) basis sets. Both HF and DFT calculations using 6-311+G(d) basis set can well describe the experiment, whereas those calculated using 6-31G basis set largely underestimate the experiment at the low momentum region. Furthermore, orbital electron density images show that HOMO and NHOMO have a mixed character of the bromine and chlorine lone pairs.