Results 81 to 90 of about 849 (148)

Quantum chemical computations on molecular composition, spectroscopic properties, topology exploration, NLO, ligand protein interactions and pharmacokinetic evaluation of 8-hydroxyquinolium 3-nitrobenzoate

, 2023
A. Herlin Shamina, Vadivelan Ganesan, V. Bena Jothy, Manikandan Alagumuthu, S. Muthu, Saleem Javed   +5 more
openalex   +1 more source

Theoretical Perspective toward Designing of 5-Methylbenzo [1,2-b:3,4-b':6,5-b″] trithiophene-Based Nonlinear Optical Compounds with Extended Acceptors. [PDF]

ACS Omega, 2023
Shafiq I, Mustafa A, Zahid R, Baby R, Ahmed S, Asghar MA, Ahamad T, Alam M, Braga AAC, Ojha SC.   +9 more
europepmc   +1 more source

Solvent-modulated second harmonic generation in <i>N</i>-alkylated thiohydantoin derivatives: synthesis, characterization, and first-principle insights. [PDF]

RSC Adv
Ali MA, Qureshi MZ, Saleem RSZ, Mojzych M, Sharif A, Arshad M.   +5 more
europepmc   +1 more source

Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations. [PDF]

PLoS One
Koyambo-Konzapa SJ, Vamhindi BSDR, Khudaykulov B, Sidhom PA, Khan S, Abdelbacki AMM, Abdelrahman AHM, Ibrahim MAA.   +7 more
europepmc   +1 more source

The presence and absence effect of the template on optical nonlinearity responses of magnetic moleculary imprinted polymer. [PDF]

Sci Rep
Nadafan M, Hashemi E, Pahlavani N.
europepmc   +1 more source

Evolving the Complexities of Glycine Magnesium Chloride (GMC) Crystal Through DFT Computation for NLO Utilizations

, 2022
KAMATCHI THENNARASU, P Kumaresan, G Suresh   +2 more
openalex   +1 more source

Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach. [PDF]

Sci Rep
Haq S, Khalid M, Braga AAC, Alhokbany N, Chen K.   +4 more
europepmc   +1 more source

Exploration of promising key electronic and nonlinear optical properties of bifluorenylidene based chromophores: a TD-DFT/DFT approach. [PDF]

Sci Rep
Shafiq I, Irshad I, Zahid R, Mahmood K, Ahmed S, Bullo S, Alhokbany N.   +6 more
europepmc   +1 more source

Relic density computations at NLO: infrared finiteness and thermal correction [PDF]

, 2014
Martin Beneke, Francesco Dighera, Andrzej Hryczuk, Martin Beneke, Francesco Dighera, Andrzej Hryczuk   +5 more
openalex   +1 more source

Status of QCD precision predictions for Drell-Yan rapidity distributions. [PDF]

Eur Phys J C Part Fields
Alekhin S, Amoroso S, Buonocore L, Huss A, Kallweit S, Kardos A, Michel J, Moch S, Petriello F, Rottoli L, Trócsányi Z, Wiesemann M.   +11 more
europepmc   +1 more source