Abstract β‐Keto amides have multiple nucleophilic and electrophilic reaction sites within
their molecular structures, which make them excellent building blocks for the construction of …

The linear and nonlinear optical (NLO) properties of two indolinooxazolidine derivatives
acting as multiaddressable switches are reported. The second-order hyperpolarizability …

This work demonstrates that covalent organic frameworks (COFs) can exhibit large second-
order nonlinear (NLO) responses and that these NLO responses can be modulated as a …

Second-order nonlinear optical molecular switches are systems displaying marked
variations of their second harmonic generation (SHG) responses upon external stimulation …

The design, synthesis, computational, spectroscopic, and, the second and third order non-
linear optical studies of a two new π-deficient cross-conjugated T-shaped push-pull …

The linear and nonlinear optical (NLO) properties of 3, 5-dinitrobenzoic acid and some
benzamide derivatives are determined using density functional theory. The B3LYP levels …

Potential energy (PE) curves along the proton transfer co-ordinate of ground and excited
states of 9-Hydroxy-phenalen-1-one (9HPO) and 6-Hydroxy-benzo [de] anthracen-7-one …

Iridium cyclometalated complexes with excellent nonlinear optical (NLO) properties in
photophysical and redox properties have attracted considerable attention. The aim of this …

The density functional theory (DFT) guided investigation of effects of prototropic tautomerism
on various optoelectronic features of 1, 3, 5-Triazine derivatives has been conducted in the …

Theoretical results for the absorption spectrum and electric properties of the enol and keto
tautomeric forms of anil derivatives in the gas-phase and in solution are presented. The …