These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
96 related articles for article (PubMed ID: 30830780)
1. Computational Study of the Influence of Nitrogen-Containing Unsaturated Heterocyclic Substituents on Electronic and Spectroscopic Properties of Squaraine Derivatives. Kaczmarek-Kędziera A; Kędziera D J Phys Chem A; 2019 Mar; 123(12):2387-2400. PubMed ID: 30830780 [TBL] [Abstract][Full Text] [Related]
2. Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies. El-Shishtawy RM; Elroby SA; Asiri AM; Müllen K Int J Mol Sci; 2016 Apr; 17(4):487. PubMed ID: 27043556 [TBL] [Abstract][Full Text] [Related]
3. Why do TD-DFT excitation energies of BODIPY/Aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods. Momeni MR; Brown A J Chem Theory Comput; 2015 Jun; 11(6):2619-32. PubMed ID: 26575559 [TBL] [Abstract][Full Text] [Related]
4. Combined TD-DFT-SOS-CIS(D) Study of BOPHY Derivatives with Potential Application in Biosensing. Ponce-Vargas M; Azarias C; Jacquemin D; Le Guennic B J Phys Chem B; 2017 Dec; 121(48):10850-10858. PubMed ID: 29136383 [TBL] [Abstract][Full Text] [Related]
5. 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]
6. Enhanced diradical nature in oxyallyl derivatives leads to near infra red absorption: a comparative study of the squaraine and croconate dyes using computational techniques. Srinivas K; Prabhakar Ch; Devi CL; Yesudas K; Bhanuprakash K; Rao VJ J Phys Chem A; 2007 May; 111(17):3378-86. PubMed ID: 17417824 [TBL] [Abstract][Full Text] [Related]
7. An electro-optical and electron injection study of benzothiazole-based squaraine dyes as efficient dye-sensitized solar cell materials: a first principles study. Al-Fahdan NS; Asiri AM; Irfan A; Basaif SA; El-Shishtawy RM J Mol Model; 2014 Dec; 20(12):2517. PubMed ID: 25420702 [TBL] [Abstract][Full Text] [Related]
8. One- and two-photon absorption properties of diamond nitrogen-vacancy defect centers: A theoretical study. Lin CK; Wang YH; Chang HC; Hayashi M; Lin SH J Chem Phys; 2008 Sep; 129(12):124714. PubMed ID: 19045055 [TBL] [Abstract][Full Text] [Related]
9. Linear and nonlinear optical characterizations of a monomeric symmetric squaraine-based dye in solution. Toro C; De Boni L; Yao S; Ritchie JP; Masunov AE; Belfield KD; Hernandez FE J Chem Phys; 2009 Jun; 130(21):214504. PubMed ID: 19508073 [TBL] [Abstract][Full Text] [Related]
10. Synthesis, spectroscopic and TD-DFT quantum mechanical study of azo-azomethine dyes. A laser induced trans-cis-trans photoisomerization cycle. Georgiev A; Kostadinov A; Ivanov D; Dimov D; Stoyanov S; Nedelchev L; Nazarova D; Yancheva D Spectrochim Acta A Mol Biomol Spectrosc; 2018 Mar; 192():263-274. PubMed ID: 29156313 [TBL] [Abstract][Full Text] [Related]
11. Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study. Biswas AK; Barik S; Das A; Ganguly B J Mol Model; 2016 Jun; 22(6):121. PubMed ID: 27155868 [TBL] [Abstract][Full Text] [Related]
12. Improving the Accuracy of Excited-State Simulations of BODIPY and Aza-BODIPY Dyes with a Joint SOS-CIS(D) and TD-DFT Approach. Chibani S; Laurent AD; Le Guennic B; Jacquemin D J Chem Theory Comput; 2014 Oct; 10(10):4574-82. PubMed ID: 26588151 [TBL] [Abstract][Full Text] [Related]
13. Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region. Collini E; Carlotto S; Ferrante C; Bozio R; Polimeno A; Bloino J; Barone V; Ronchi E; Beverina L; Pagani GA Phys Chem Chem Phys; 2011 Jul; 13(25):12087-94. PubMed ID: 21625702 [TBL] [Abstract][Full Text] [Related]
14. Effect of methyl substituents on the electronic transitions in simple meso-aniline-BODIPY based dyes: RI-CC2 and TD-CAM-B3LYP computational investigation. Petrushenko IK; Petrushenko KB Spectrochim Acta A Mol Biomol Spectrosc; 2018 Feb; 190():239-245. PubMed ID: 28934702 [TBL] [Abstract][Full Text] [Related]
15. Electronic and optical properties of dye-sensitized TiO₂ interfaces. Pastore M; Selloni A; Fantacci S; De Angelis F Top Curr Chem; 2014; 347():1-45. PubMed ID: 24488437 [TBL] [Abstract][Full Text] [Related]
16. A theoretical, spectroscopic, and photophysical study of 2,7-carbazolenevinylene-based conjugated derivatives. Belletête M; Morin JF; Leclerc M; Durocher G J Phys Chem A; 2005 Aug; 109(31):6953-9. PubMed ID: 16834054 [TBL] [Abstract][Full Text] [Related]
17. Molecular modeling studies of the structural, electronic, and UV absorption properties of benzophenone derivatives. Corrêa BA; Gonçalves AS; de Souza AM; Freitas CA; Cabral LM; Albuquerque MG; Castro HC; dos Santos EP; Rodrigues CR J Phys Chem A; 2012 Nov; 116(45):10927-33. PubMed ID: 22934788 [TBL] [Abstract][Full Text] [Related]
18. 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]
19. Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self-consistent field wave functions. Hedegård ED; Heiden F; Knecht S; Fromager E; Jensen HJ J Chem Phys; 2013 Nov; 139(18):184308. PubMed ID: 24320275 [TBL] [Abstract][Full Text] [Related]
20. Excitation energies from range-separated time-dependent density and density matrix functional theory. Pernal K J Chem Phys; 2012 May; 136(18):184105. PubMed ID: 22583275 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]