389 related articles for article (PubMed ID: 28144800)
21. Estimation of Ground-State and Singlet Excited-State Dipole Moments of Substituted Schiff Bases Containing Oxazolidin-2-one Moiety through Solvatochromic Methods.
Kumari R; Varghese A; George L
J Fluoresc; 2017 Jan; 27(1):151-165. PubMed ID: 27704234
[TBL] [Abstract][Full Text] [Related]
22. Theoretical investigation of phenothiazine-triphenylamine-based organic dyes with different π spacers for dye-sensitized solar cells.
Chen X; Jia C; Wan Z; Zhang J; Yao X
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 123():282-9. PubMed ID: 24398472
[TBL] [Abstract][Full Text] [Related]
23. Conjugate spacer effect on molecular structures and absorption spectra of triphenylamine dyes for sensitized solar cells: density functional theory calculations.
Xu J; Wang L; Liang G; Bai Z; Wang L; Xu W; Shen X
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):287-93. PubMed ID: 21035380
[TBL] [Abstract][Full Text] [Related]
24. Re and Br X-ray absorption near-edge structure study of the ground and excited states of [ReBr(CO)3(bpy)] interpreted by DFT and TD-DFT calculations.
Záliš S; Milne CJ; El Nahhas A; Blanco-Rodríguez AM; van der Veen RM; Vlček A
Inorg Chem; 2013 May; 52(10):5775-85. PubMed ID: 23631457
[TBL] [Abstract][Full Text] [Related]
25. 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]
26. Synthesis of novel carbazole based styryl: rational approach for photophysical properties and TD-DFT.
Sekar N; Umape PG; Kothavale S; Deshmukh M
J Fluoresc; 2014 Sep; 24(5):1457-72. PubMed ID: 25117827
[TBL] [Abstract][Full Text] [Related]
27. Comprehensive investigation of the excited-state dynamics of push-pull triphenylamine dyes as models for photonic applications.
Ishow E; Clavier G; Miomandre F; Rebarz M; Buntinx G; Poizat O
Phys Chem Chem Phys; 2013 Sep; 15(33):13922-39. PubMed ID: 23846618
[TBL] [Abstract][Full Text] [Related]
28. Charge-recombination fluorescence from push-pull electronic systems constructed around amino-substituted styryl-BODIPY dyes.
Nano A; Ziessel R; Stachelek P; Harriman A
Chemistry; 2013 Sep; 19(40):13528-37. PubMed ID: 24038505
[TBL] [Abstract][Full Text] [Related]
29. TD-DFT and Experimental Methods for Unraveling the Energy Distribution of Charge-Transfer Triplet/Singlet States of a TADF Molecule in a Frozen Matrix.
Woo SJ; Kim JJ
J Phys Chem A; 2021 Feb; 125(5):1234-1242. PubMed ID: 33517658
[TBL] [Abstract][Full Text] [Related]
30. How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries?
Wang J; Durbeej B
J Comput Chem; 2020 Jul; 41(18):1718-1729. PubMed ID: 32323870
[TBL] [Abstract][Full Text] [Related]
31. Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study.
Perun S; Tatchen J; Marian CM
Chemphyschem; 2008 Feb; 9(2):282-92. PubMed ID: 18189251
[TBL] [Abstract][Full Text] [Related]
32. 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]
33. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.
Xie RH; Bryant GW; Sun G; Nicklaus MC; Heringer D; Frauenheim T; Manaa MR; Smith VH; Araki Y; Ito O
J Chem Phys; 2004 Mar; 120(11):5133-47. PubMed ID: 15267383
[TBL] [Abstract][Full Text] [Related]
34. 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]
35. Spectroscopic investigation, photophysical parameters and DFT calculations of 4,4'-(1E,1'E)-2,2'-(pyrazine-2,5-diyl)bis(ethene-2,1-diyl)bis(N,N-dimethylaniline) (PENDA) in different solvents.
Asiri AM; Alamry KA; Pannipara M; Al-Sehemi AG; El-Daly SA
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Oct; 149():722-30. PubMed ID: 25988818
[TBL] [Abstract][Full Text] [Related]
36. Synthesis and nonlinear optical properties in the near-IR range of stilbazolium dyes.
Hao F; Zhu D; Ma J; Chai L
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 123():46-53. PubMed ID: 24388999
[TBL] [Abstract][Full Text] [Related]
37. DFT and TD-DFT study on geometries, electronic structures and electronic absorption of some metal free dye sensitizers for dye sensitized solar cells.
Mohr T; Aroulmoji V; Ravindran RS; Müller M; Ranjitha S; Rajarajan G; Anbarasan PM
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():1066-73. PubMed ID: 25173523
[TBL] [Abstract][Full Text] [Related]
38. Theoretical study on the electronic structure and optical properties of carbazole-π-dimesitylborane as bipolar fluorophores for nondoped blue OLEDs.
Zhang Y; Zhang LL; Wang RS; Pan XM
J Mol Graph Model; 2012 Apr; 34():46-56. PubMed ID: 22306415
[TBL] [Abstract][Full Text] [Related]
39. Molecular modeling of two-photon absorption and third-order nonlinearities of polymethine dyes for all-optical switching.
Li Y; Shi Y; Chen M; Li Y; Su R; Zhao M; Ma F
J Mol Model; 2012 Sep; 18(9):4141-9. PubMed ID: 22527274
[TBL] [Abstract][Full Text] [Related]
40. Excited-State Charge Distribution of a Donor-π-Acceptor Zn Porphyrin Probed by N K-Edge Transient Absorption Spectroscopy.
Cordones AA; Pemmaraju CD; Lee JH; Zegkinoglou I; Ragoussi ME; Himpsel FJ; de la Torre G; Schoenlein RW
J Phys Chem Lett; 2021 Feb; 12(4):1182-1188. PubMed ID: 33480697
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]