most citedMolecular structure, vibrational, photophysical and nonlinear optical properties of L-threoninium picrate: A first-principles study

2 citations · 2 across the 1 of their papers we have counts for

collaborators
Showing cond-mat.mtrl-sciShow all

1 paper · 1 filter

cond-mat.mtrl-sci2015★ 2 cited

Molecular structure, vibrational, photophysical and nonlinear optical properties of L-threoninium picrate: A first-principles study

S. AlFaify, Mohd. Shkir, M. Arora +5

In this work, different computational methods such as HF, B3LYP, range separated functionals (CAM-B3LYP and LC-BLYP) with 6-31G* basis set were applied to investigate the electroni…