Vibrational excited state energies have been calculated using vibrational coupled cluster linear response theory (CCLRT). The method has been implemented on formaldehyde and water molecule. Convergence studies have been shown with varying the cluster operator from S(4) to S(6) as well as the excitation operator from four bosons to six bosons. A good agreement with full configuration interaction results has been observed with S(6) truncation at coupled-cluster method level and six bosonic excitations at CCLRT level.
In this work, a novel series of phenothiazine and phenoxazine substituted fluorene core-based solution-processable nanotextured HTMs was reported. Of these, the phenoxazine material showed a superior performance in phosphorescent yellow and TADF green OLEDs.
A comprehensive study has been made on the rates of liquid weeping from sieve trays in a hydraulic simulator.Results are reported both for air-water and air-Isopar M. A wide range of tray geometries and flow rates was used. The influence on the weep rate of individual parameters such as hole gas velocity, liquid rate, weir height, hole diameter, and fractional perforation area is discussed. The results have been correlated by expressing the weep flux as a function of the Froude number.
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