Results 101 to 110 of about 849 (148)

Recent news and results in the computation of NLO processes with new techniques [PDF]

, 2011
R. Pittau
openalex   +1 more source

Synthesis and characterization of fluorenone derivatives with electrical properties explored using density functional theory (DFT). [PDF]

Sci Rep
Farooq MU, Muneer M, Shahid A, Rehman MA, Ullah K, Murtaza G, Iqbal R, Iqbal J, Rahimi M.   +8 more
europepmc   +1 more source

Unveiling electronic and remarkable non-linear optical properties of boron-nitrogen carbazole-based compounds <i>via</i> modification of π-linker and donor units: a DFT study. [PDF]

RSC Adv
Jamal S, Raza N, Khalid M, Braga AAC.
europepmc   +1 more source

Promising impact of push-pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach. [PDF]

Sci Rep, 2023
Khalid M, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Haroon M, Sanyang ML.   +6 more
europepmc   +1 more source

Synergistic charge-transfer dynamics of novel pyridoquinazolindone-containing triphenylamine-based push-pull chromophores: from structural optimization to performance metrics in photovoltaic solar cells and static, dynamic, solvent-dependent nonlinear optical response applications. [PDF]

RSC Adv
Nadeem S, Anwar A, Khan MU, Hassan AU, Alrashidi KA.   +4 more
europepmc   +1 more source

Multicomponent synthesis of pyrido[2,3-b]pyrazine derivatives: electrochemical DNA sensing, nonlinear optical properties and biological activity. [PDF]

RSC Adv, 2023
Rashid M, Khalid M, Ashraf A, Saleem T, Shafiq I, Shakil MA, Zainab B, El-Kott AF, Yaqub M, Shafiq Z.   +9 more
europepmc   +1 more source

Enhanced molecular first hyperpolarizabilities with Reichardt's type of zwitterions: a computational study on roles of various monocyclic aromatic bridges. [PDF]

J Mol Model
Pant D, Sitha S.
europepmc   +1 more source

First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D-π-A configured molecules. [PDF]

RSC Adv, 2022
Khalid M, Naz S, Mahmood K, Hussain S, Carmo Braga AA, Hussain R, Ragab AH, Al-Mhyawi SR.   +7 more
europepmc   +1 more source

Combined Experimental and Computational Investigation of 2-(2-Hydroxyphenylimino) Phenolic Derivatives: Synthesis, Molecular Structure and NLO Studies

, 2017
V. Duraisamy Nadhiya, R. Kumaresan
openalex   +2 more sources

Growth of L-asparagine monohydrate organic single crystals: An experimental and DFT computational approach for nonlinear optical applications. [PDF]

Heliyon
Rahman MA, Podder J.
europepmc   +1 more source