Tuning of intramolecular charge transfer (ICT) in a molecule could be used to modulate its
linear and nonlinear optical (NLO) response properties. Over the years, the ICT process in …

This study focuses on the impact of substitutional positions on the nonlinear optical (NLO)
and photophysical properties of four novel chalcone derivatives (I–IV). The grown crystals …

Following recent experimental work demonstrating strong nonlinear optical properties,
namely second harmonic generation of light, in crystals composed of 16, 20-dinitro-(3, 4, 8 …

Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) have
been used to investigate the nonlinear optical (NLO) properties of phenolic N-pyrimidinyl …

This contribution employs quantum chemistry methods to describe the variations of the
second nonlinear optical responses of molecular switches based on benzazolo-oxazolidine …

The aim of this work is to demonstrate the possibility of using propellane in designing a
molecule that can absorb in three different wavelength regions and their nonlinear optical …

The molecular origin of two-(2PA) and three-photon absorption (3PA) activity in three
experimentally studied chromophores, prototypical dipolar systems, is investigated. To that …

Indole is an interesting molecule that exists in nature as a part of several important
biomolecules including melatonin—a chemical that maintains the circadian rhythm in human …

In this study, we compute the hyperpolarizability of the nitroaniline isomers, para-nitroaniline
(pNA), ortho-nitroaniline (oNA), and meta-nitroaniline (mNA), by density functional theory …

Nowadays two-photon absorption (2PA) phenomenon has a significant influence on the
development of molecular biology, medicine, optics, and information technology …