The current paper provides a theoretical and experimental coupled study of synthesized N–
octanoyl glycine and N–oleoyl glycine. The derivatives were characterized using nuclear …

Context The present work deals with the linear and nonlinear optical properties such as the
dipole moment, polarizability, total hyperpolarizability, electric field–induced second …

In order to enhance nonlinear optics (NLO)-based technologies, current research focuses on
the design and synthesis of coordination materials. In this context, to investigate spectral and …

In this computational study, first-principles calculations based on density functional theory
are successfully employed to study the linear and nonlinear optical properties of four …

The present work deals with the linear and nonlinear optical properties (the dipole moment,
polarizability, total hyperpolarizability, electric field–induced second harmonic generation …

The linear and nonlinear optical properties such as the dipole moment, polarizability, electric
field–induced second harmonic generation, and hyper–Rayleigh scattering first …

In this paper, a novel hybrid compound based on tin fluoride of bis 1.10–phenanthrolinium
cis di fluoro bis oxalate stannate (IV) dehydrate formulated as [(C 12 N 2 H 9) 2 [SnF 2 (C 2 …

With the rapid developments of computational methods, now it is effective and efficient to
predict properties and underlying reasons at different stages. In this work, we systematically …

In the current study, three novel 1, 4-phenylenediamine-based chromophores (3a–3c) were
synthesized and characterized and then their nonlinear optical (NLO) characteristics were …

In this paper, we theoretically investigate the linear and nonlinear optical activity of polymers
based on poly (ortho-anisidine) and polyaniline using density functional theory. The PBE0 …