Yogesh Kumar

Effect of THz electric field on 5CB in the presence of acetonitrile and acetone and its dynamical behaviour in these polar solvents: a DFT and MD simulation study

The electro-optical, NLO, electronic and global reactivity descriptors of 5CB LC molecule have been investigated under the influence of external terahertz (THz) electric field in different solvent environments such as acetonitrile and acetone using DFT-based LC-BLYP/6-311+G(d,p)...