392 related articles for article (PubMed ID: 34302223)
21. Molecular design of D-π-A-π-D small molecule donor materials with narrow energy gap for organic solar cells applications.
Jin R; Zhang X; Xin J; Xiao W
J Mol Model; 2023 Aug; 29(9):273. PubMed ID: 37542668
[TBL] [Abstract][Full Text] [Related]
22. FT-IR, UV-vis, 1H and 13C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: a combined experimental and theoretical analysis.
Cinar M; Coruh A; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):561-9. PubMed ID: 21958518
[TBL] [Abstract][Full Text] [Related]
23. Impact of end capped modification on BT-CIC molecule for high-performance photovoltaic attributes: a DFT approach.
Naveed A; Akram SJ; Ans M; Iqbal J; Batool I; Mehmood RF; Khera RA
J Mol Model; 2022 Jul; 28(8):218. PubMed ID: 35821346
[TBL] [Abstract][Full Text] [Related]
24. 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]
25. Molecular Structures and Spectral Properties of Natural Indigo and Indirubin: Experimental and DFT Studies.
Ju Z; Sun J; Liu Y
Molecules; 2019 Oct; 24(21):. PubMed ID: 31652913
[TBL] [Abstract][Full Text] [Related]
26. Excited states of ladder-type π-conjugated dyes with a joint SOS-CIS(D) and PCM-TD-DFT approach.
Chibani S; Laurent AD; Le Guennic B; Jacquemin D
J Phys Chem A; 2015 May; 119(21):5417-25. PubMed ID: 25522826
[TBL] [Abstract][Full Text] [Related]
27. Comparative theoretical study of the UV/Vis absorption spectra of styrylpyridine compounds using TD-DFT calculations.
Castro ME; Percino MJ; Chapela VM; Soriano-Moro G; Ceron M; Melendez FJ
J Mol Model; 2013 May; 19(5):2015-26. PubMed ID: 23053012
[TBL] [Abstract][Full Text] [Related]
28. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.
Asiri AM; Karabacak M; Kurt M; Alamry KA
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218
[TBL] [Abstract][Full Text] [Related]
29. 1,2,4-Triazine-based Materials: Spectroscopic Investigation, DFT, NBO, and TD-DFT Calculations as Well As Dye-sensitized Solar Cells Applications.
Sakr MAS; Kana MTHA
J Fluoresc; 2022 Nov; 32(6):2053-2063. PubMed ID: 35861897
[TBL] [Abstract][Full Text] [Related]
30. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
Muthu S; Ramachandran G
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():394-403. PubMed ID: 24280302
[TBL] [Abstract][Full Text] [Related]
31. First-Principles Investigations of Novel Guanidine-Based Dyes.
Hashmat U; Rasool N; Kausar S; Altaf AA; Sultana S; Tahir AA
ACS Omega; 2024 Mar; 9(12):13917-13927. PubMed ID: 38559970
[TBL] [Abstract][Full Text] [Related]
32. First principal studies of spectroscopic (IR and Raman, UV-visible), molecular structure, linear and nonlinear optical properties of L-arginine p-nitrobenzoate monohydrate (LANB): A new non-centrosymmetric material.
Shkir M; AlFaify S; Abbas H; Muhammad S
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Aug; 147():84-92. PubMed ID: 25827769
[TBL] [Abstract][Full Text] [Related]
33. Donor-acceptor-donor (D-A-D) structural monomers as donor materials in polymer solar cells: a DFT/TDDFT approach.
Babu NS
Des Monomers Polym; 2021; 24(1):330-342. PubMed ID: 34776758
[TBL] [Abstract][Full Text] [Related]
34. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
Muthu S; Elamurugu Porchelvi E
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985
[TBL] [Abstract][Full Text] [Related]
35. Narrow-energy gap conjugated polymers based on benzobisthiadiazole and thiadiazoloquinoxaline: DFT and TDDFT study.
Civcir PÜ; Özen E; Karadeniz C
J Mol Model; 2020 Sep; 26(10):289. PubMed ID: 32980957
[TBL] [Abstract][Full Text] [Related]
36. Theoretical design of low bandgap donor-acceptor (D-A) monomers for polymer solar cells: DFT and TD-DFT study.
Vuai SAH; Babu NS
Des Monomers Polym; 2021 May; 24(1):123-135. PubMed ID: 34104070
[TBL] [Abstract][Full Text] [Related]
37. Structural and optical properties of Purpurin for dye-sensitized solar cells.
Ranjitha S; Rajarajan G; Gnanendra TS; Anbarasan PM; Aroulmoji V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Oct; 149():997-1008. PubMed ID: 26037779
[TBL] [Abstract][Full Text] [Related]
38. Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study.
Zaier R; Martel A; Antosiewicz TJ
J Phys Chem A; 2023 Dec; 127(50):10555-10569. PubMed ID: 38086177
[TBL] [Abstract][Full Text] [Related]
39. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
[TBL] [Abstract][Full Text] [Related]
40. 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]
[Previous] [Next] [New Search]
