In this study, the substituent effect on the electronic, spectroscopic properties and thermodynamic parameters of neutral and oxidized states of ferrocylidene acetophenone complexes was investigated by adopting the hybrid meta exchange-correlation functional of M06-2X. The frontier orbitals and the highest occupied molecular orbitals–lowest unoccupied molecular orbitals gaps of the substituted ...

the fluid flow and heat transfer in lid-driven enclosures filled with cu-water nanofluid is numerically investigated. the moving vertical walls of the enclosure  are maintained in a constant temperature, while the horizontal walls are insulated. the hybrid scheme is used to discretize the convection terms and simpler algorithm is adopted to couple the velocity field and pressure in the momentum...

Laboratory experiment is conducted to investigate the long waves generated by time-varying breakpoint. We focus our attention on the variation of plunging point as well as the variation of breaking point. The results show that free long waves (BFLW) are really generated by the variation of the starting point of wave set-up which coincide with the plunging point and that the BFLW observed can be...

A weakness of standard Optimality Theory is its inability to account for grammars with free variation. We describe here the Maximum Entropy model, a general statistical model, and show how it can be applied in a constraint-based linguistic framework to model and learn grammars with free variation, as well as categorical grammars. We report the results of using the MaxEnt model for learning two ...