119 related articles for article (PubMed ID: 38554693)
1. Effect of spirocyclization of xanthene dyes on linear and nonlinear optical properties by considering D-π-A and D-A-D Systems: DFT and TD-DFT approach.
Khan Z; Sekar N
Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jun; 314():124183. PubMed ID: 38554693
[TBL] [Abstract][Full Text] [Related]
2. Orange-Red Fluorescent (Partially Rigidified) Donor-π-(rigidified)-Acceptor System - Computational Studies.
Bhalekar SB; Bhagwat AA; Sekar N
J Fluoresc; 2020 May; 30(3):565-579. PubMed ID: 32222855
[TBL] [Abstract][Full Text] [Related]
3. Second-order nonlinear optical properties of dithienophenazine and TTF derivatives: A butterfly effect of dimalononitrile substitutions.
Muhammad S
J Mol Graph Model; 2015 Jun; 59():14-20. PubMed ID: 25863481
[TBL] [Abstract][Full Text] [Related]
4. Computational investigations on acceptor substituent influence of metal-free efficient chromophores for optoelectronic properties.
Ammasi A; Munusamy AP; Shkir M
J Mol Model; 2022 Oct; 28(11):349. PubMed ID: 36214920
[TBL] [Abstract][Full Text] [Related]
5. Exploration of Pull-Push Effect for Novel Photovoltaic Dyes with A-π-D Design: A DFT/TD-DFT Investigation.
Hassan AU; Sumrra SH
J Fluoresc; 2022 Nov; 32(6):1999-2014. PubMed ID: 35802211
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. DFT Study of the Structure, Reactivity, Natural Bond Orbital and Hyperpolarizability of Thiazole Azo Dyes.
Osman OI
Int J Mol Sci; 2017 Feb; 18(2):. PubMed ID: 28157151
[TBL] [Abstract][Full Text] [Related]
8. Novel blue-green emitting NLOphoric triphenylamine-imidazole based donor-π-acceptor compound: Solvatochromism, DFT, TD-DFT and non-linear optical studies.
Yadav SB; Sonvane SS; Sekar N
Spectrochim Acta A Mol Biomol Spectrosc; 2020 Jan; 224():117421. PubMed ID: 31377685
[TBL] [Abstract][Full Text] [Related]
9. Investigation of second-order NLO properties of novel 1,3,4-oxadiazole derivatives: a DFT study.
Waddar B; Gandi S; Parne SR; Chari VR; Prasanth GR
J Mol Model; 2024 Apr; 30(5):118. PubMed ID: 38561544
[TBL] [Abstract][Full Text] [Related]
10. Investigating functional performance and substituent effect in modelling molecular structure, UV-visible spectra, and optical properties of D-π-A conjugated organic dye molecules: a DFT and TD-DFT study.
Chanana G; Batra K
J Mol Model; 2021 Jul; 27(8):229. PubMed ID: 34302223
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Enhancement of nonlinear optical (NLO) properties of indigo through modification of auxiliary donor, donor and acceptor.
Mahmood A; Abdullah MI; Khan SU
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():425-30. PubMed ID: 25576939
[TBL] [Abstract][Full Text] [Related]
13. Molecular and NLO Properties of Red Fluorescent Coumarins - DFT Computations Using Long-Range Separated and Conventional Functionals.
Sekar N; Katariya S; Rhyman L; Alswaidan IA; Ramasami P
J Fluoresc; 2019 Jan; 29(1):241-253. PubMed ID: 30554293
[TBL] [Abstract][Full Text] [Related]
14. Rigid Coumarins: a Complete DFT, TD-DFT and Non Linear Optical Property Study.
Lanke SK; Sekar N
J Fluoresc; 2015 Sep; 25(5):1469-80. PubMed ID: 26266333
[TBL] [Abstract][Full Text] [Related]
15. TD-DFT investigation of D-π-A organic dyes with thiophene moieties as π-spacers for use as sensitizers in DSSCs.
Hasanein AA; Elmarassi YR; Kassem EN
J Mol Model; 2016 May; 22(5):115. PubMed ID: 27126050
[TBL] [Abstract][Full Text] [Related]
16. Theoretical investigation of the effect of changing the auxiliary acceptor on the performance of organic D-A'-A dyes used as sensitizers in DSSCs.
Bouzineb Y; Fitri A; Benjelloun AT; Benzakour M; Mcharfi M; Bouachrine M
J Mol Model; 2023 Nov; 29(12):365. PubMed ID: 37946060
[TBL] [Abstract][Full Text] [Related]
17. Non-linear optical response of meso hybrid BODIPY: Synthesis, photophysical, DFT and Z scan study.
Mallah RR; Mohbiya DR; Sreenath MC; Chitrambalam S; Joe IH; Sekar N
Spectrochim Acta A Mol Biomol Spectrosc; 2019 Feb; 209():126-140. PubMed ID: 30384018
[TBL] [Abstract][Full Text] [Related]
18. Triphenylamine-Based Fluorescent Styryl Dyes: DFT, TD-DFT and Non-Linear Optical Property Study.
Katariya S; Rhyman L; Alswaidan IA; Ramasami P; Sekar N
J Fluoresc; 2017 May; 27(3):993-1007. PubMed ID: 28144800
[TBL] [Abstract][Full Text] [Related]
19. Fluorescent 7-Substituted Coumarin Dyes: Solvatochromism and NLO Studies.
Bhagwat AA; Sekar N
J Fluoresc; 2019 Jan; 29(1):121-135. PubMed ID: 30374938
[TBL] [Abstract][Full Text] [Related]
20. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
Kumar A; Deval V; Tandon P; Gupta A; Deepak D'silva E
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():41-53. PubMed ID: 24762572
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
