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Neural network consistent empirical physical formula construction for density functional theory based nonlinear vibrational absorbance and intensity of 6-choloronicotinic acid molecule
(PERGAMON-ELSEVIER SCIENCE LTD, 2012)
Being directly related to the electric charge distributions in a molecule, the vibrational spectra intensities are both experimentally and theoretically important physical quantities. However, these intensities are inherently ...
Experimental, Semi-theoretical, and Theoretical Electronic and Non-linear Optical Characteristics of ECBP
(Springer, 2020)
The electronic properties of 4,4 '-bis(3-ethyl-N-carbazolyl)-1,1 '-biphenyl (ECBP) have been studied using time-dependent density functional theory. The non-linear optical (NLO) properties and dipole moments were investigated ...
