124 related articles for article (PubMed ID: 38422934)
21. Electronic, nonlinear optical, UV-vis and NBO analysis of methyl methacrylate for optoelectronic and optical applications: DFT study and impact of conformation.
Noudem P; Fouejio D; Mveme CDD; Nya FT; Zekeng SS
Spectrochim Acta A Mol Biomol Spectrosc; 2023 Dec; 303():123267. PubMed ID: 37598450
[TBL] [Abstract][Full Text] [Related]
22. Remarkable non-linear optical properties of gold cluster doped graphyne (GY): A DFT study.
Rasool A; Zahid S; Alfryyan N; Ayub AR; Ayub K; Akhter MS; Iqbal J; Al-Buriahi MS; Yousef ES
J Mol Graph Model; 2022 Jul; 114():108204. PubMed ID: 35525190
[TBL] [Abstract][Full Text] [Related]
23. Tuning the optoelectronic properties of superalkali doped phosphorene.
Hanif A; Kiran R; Khera RA; Ayoub A; Ayub K; Iqbal J
J Mol Graph Model; 2021 Sep; 107():107973. PubMed ID: 34217026
[TBL] [Abstract][Full Text] [Related]
24. Mixed superalkalis are a better choice than pure superalkalis for B
Bano R; Ayub K; Mahmood T; Arshad M; Sharif A; Tabassum S; Gilani MA
Dalton Trans; 2022 May; 51(21):8437-8453. PubMed ID: 35593348
[TBL] [Abstract][Full Text] [Related]
25. Geometric, Electronic, and Optoelectronic Properties of Carbon-Based Polynuclear C
Bayach I; Ahsin A; Majid SU; Rashid U; Sheikh NS; Ayub K
Molecules; 2023 Feb; 28(4):. PubMed ID: 36838816
[TBL] [Abstract][Full Text] [Related]
26. A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections.
Fonseca S; Santos L; Pereira R; Modesto-Costa L; da Cunha AR; Siqueira MRS; Carvalho FAO; Andrade-Filho T; Gester R
J Mol Model; 2022 Mar; 28(4):85. PubMed ID: 35377023
[TBL] [Abstract][Full Text] [Related]
27. Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties.
Gul S; Rasool A; Hameed S; Shehzad RA; Ayub K; Ans M; Iqbal J
J Mol Model; 2022 Nov; 28(12):378. PubMed ID: 36336761
[TBL] [Abstract][Full Text] [Related]
28. Harnessing synergistic effects in GQD@Pt(II) nanocomposites for enhanced photovoltaic performance: a computational study.
Cui P; Wu Q; Li Z
J Mol Model; 2024 Jun; 30(7):222. PubMed ID: 38907083
[TBL] [Abstract][Full Text] [Related]
29. Chemically Modified Quinoidal Oligothiophenes for Enhanced Linear and Third-Order Nonlinear Optical Properties.
Bibi A; Muhammad S; UrRehman S; Bibi S; Bashir S; Ayub K; Adnan M; Khalid M
ACS Omega; 2021 Sep; 6(38):24602-24613. PubMed ID: 34604642
[TBL] [Abstract][Full Text] [Related]
30. Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations.
Khalid M; Hussain R; Hussain A; Ali B; Jaleel F; Imran M; Assiri MA; Khan MU; Ahmed S; Abid S; Haq S; Saleem K; Majeed S; Tariq CJ
Molecules; 2019 Jun; 24(11):. PubMed ID: 31159484
[TBL] [Abstract][Full Text] [Related]
31. Structural, Electronic and NLO Properties of 6-aminoquinoline: A DFT/TD-DFT Study.
Pandey N; Mehata MS; Pant S; Tewari N
J Fluoresc; 2021 Nov; 31(6):1719-1729. PubMed ID: 34427839
[TBL] [Abstract][Full Text] [Related]
32. A DFT Study on New Photovoltaic Dyes to Investigate their NLO Tuning at Near Infrared Region (NIR) as Pull-push Effect by End Capped Acceptors.
Hassan AU; Sumrra SH; Nazar MF; Güleryüz C
J Fluoresc; 2023 Jan; 33(1):239-253. PubMed ID: 36399248
[TBL] [Abstract][Full Text] [Related]
33. Electronic absorption spectra and nonlinear optical properties of ruthenium acetylide complexes: a DFT study toward the designing of new high NLO response compounds.
Janjua MR; Mahmood A; Nazar MF; Yang Z; Pan S
Acta Chim Slov; 2014; 61(2):382-90. PubMed ID: 25125122
[TBL] [Abstract][Full Text] [Related]
34. Theoretical investigation on second-order nonlinear optical properties of ruthenium alkynyl-dihydroazulene/vinylheptafulvene complexes.
Jing LX; Wang L; Ye JT; Chen ZZ; Chen H; Qiu YQ
J Mol Graph Model; 2017 Oct; 77():363-371. PubMed ID: 28946068
[TBL] [Abstract][Full Text] [Related]
35. Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response.
Kosar N; Shehzadi K; Ayub K; Mahmood T
J Mol Graph Model; 2020 Jun; 97():107573. PubMed ID: 32114080
[TBL] [Abstract][Full Text] [Related]
36. Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides.
Ahsin A; Qamar A; Lu Q; Bian W
Sci Technol Adv Mater; 2024; 25(1):2357064. PubMed ID: 38835630
[TBL] [Abstract][Full Text] [Related]
37. Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors.
Hassan AU; Sumrra SH; Mustafa G; Nazar MF; Zafar MN
J Mol Model; 2022 Dec; 29(1):4. PubMed ID: 36481993
[TBL] [Abstract][Full Text] [Related]
38. Alkaline earth metals serving as source of excess electron for alkaline earth metals to impart large second and third order nonlinear optical response; a DFT study.
Ahsin A; Ali A; Ayub K
J Mol Graph Model; 2020 Dec; 101():107759. PubMed ID: 33011558
[TBL] [Abstract][Full Text] [Related]
39. Key Electronic, Linear and Nonlinear Optical Properties of Designed Disubstituted Quinoline with Carbazole Compounds.
Ali B; Khalid M; Asim S; Usman Khan M; Iqbal Z; Hussain A; Hussain R; Ahmed S; Ali A; Hussain A; Imran M; Assiri MA; Fayyaz Ur Rehman M; Wang C; Lu C
Molecules; 2021 May; 26(9):. PubMed ID: 34067122
[TBL] [Abstract][Full Text] [Related]
40. Frequency-dependent nonlinear optical response and refractive index investigation of lactone-derived thermochromic compounds.
Kosar N; Kanwal S; Sajid H; Ayub K; Gilani MA; Elfaki Ibrahim K; Gatasheh MK; Mary YS; Mahmood T
J Mol Graph Model; 2024 Jan; 126():108646. PubMed ID: 37816302
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]