Detalles de la búsqueda
1.
Self-Consistent Quantum Mechanics/Embedded Charge Study on Aggregation-Enhanced Delayed Fluorescence of Cu(I) Complexes: Luminescence Mechanism and Molecular Design Strategy.
Inorg Chem
; 62(20): 7753-7763, 2023 May 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-37154416
2.
Theoretical Studies and Design Strategies of Highly Efficient Two-Photon Excited Fluorescent Probes for Hydrogen Sulfide Detection through Simulation of Excited-State Dynamics.
J Chem Inf Model
; 63(8): 2409-2418, 2023 04 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37018130
3.
Molecular Design of Highly Efficient Heavy-Atom-free NpImidazole Derivatives for Two-Photon Photodynamic Therapy and ClO- Detection.
J Chem Inf Model
; 63(14): 4392-4404, 2023 07 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37418660
4.
Theoretical study of the tuning role of ß-methylthio or ß-methylselenyl on the charge-transport properties of acenedithiophenes derivatives.
Phys Chem Chem Phys
; 25(15): 10313-10324, 2023 Apr 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36987913
5.
Theoretical Research and Photodynamic Simulation of Aggregation-Induced Thermally Activated Delayed Fluorescence Materials for Organic Light-Emitting Diodes.
J Phys Chem A
; 127(46): 9771-9780, 2023 Nov 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-37948560
6.
Theoretical Study on the Formation and Decomposition Mechanisms of Coelenterazine Dioxetanone.
J Phys Chem A
; 127(17): 3804-3813, 2023 May 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-37083412
7.
Theoretical insight on the charge transport properties: The formation of "head-to-tail" and "head-to-head" stacking of asymmetric aryl anthracene derivatives.
J Chem Phys
; 158(17)2023 May 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-37125711
8.
Reliability of computed molecular structures.
J Comput Chem
; 43(7): 465-476, 2022 03 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-35023181
9.
Photophysical Exploration of Zn(II) Polypyridine Photosensitizers in Two-Photon Photodynamic Therapy: Insights from Theory.
Inorg Chem
; 61(46): 18729-18742, 2022 Nov 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-36351263
10.
Theoretical study and application of 2-phenyl-1,3,4-thiadiazole derivatives with optical and inhibitory activity against SHP1.
Phys Chem Chem Phys
; 24(2): 861-874, 2022 Jan 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-34908073
11.
Persistent and Efficient Multimodal Imaging for Tyrosinase Based on Two-Photon Excited Fluorescent and Room-Temperature Phosphorescent Probes.
J Phys Chem A
; 126(42): 7650-7659, 2022 Oct 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-36240504
12.
Theoretical Study of a Two-Photon Fluorescent Probe Based on Nile Red Derivatives with Controllable Fluorescence Wavelength and Water Solubility.
J Chem Inf Model
; 61(10): 5082-5097, 2021 10 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-34606272
13.
From luminescence quenching to high-efficiency phosphorescence: a theoretical study on the monomeric and dimeric forms of platinum(II) complexes with both 2-pyridylimidazol-2-ylidene and bipyrazolate chelates.
Phys Chem Chem Phys
; 23(9): 5652-5664, 2021 Mar 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-33656501
14.
Theoretical investigations on the charge transport properties of anthracene derivatives with aryl substituents at the 2,6-position-thermally stable "herringbone" stacking motifs.
Phys Chem Chem Phys
; 23(22): 12679-12691, 2021 Jun 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34036996
15.
Molecular-Level Insight of Cu(I) Complexes with the 7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborate Ligand as a Thermally Activated Delayed Fluorescence Emitter: Luminescent Mechanism and Design Strategy.
Inorg Chem
; 59(17): 12039-12053, 2020 Sep 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-32786269
16.
Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.
J Am Chem Soc
; 141(8): 3589-3596, 2019 Feb 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-30698433
17.
Theoretical study on the charge transport properties of three series of dicyanomethylene quinoidal thiophene derivatives.
Phys Chem Chem Phys
; 21(6): 3044-3058, 2019 Feb 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-30672532
18.
Theoretical Investigations into the Electron and Ambipolar Transport Properties of Anthracene-Based Derivatives.
J Phys Chem A
; 123(15): 3300-3314, 2019 Apr 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-30900901
19.
Excellent benzocoumarin-based ratiometric two-photon fluorescent probe for H2O2 detection.
Phys Chem Chem Phys
; 21(1): 281-291, 2018 Dec 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-30520906
20.
Theoretical study on the charge transport in single crystals of TCNQ, F2-TCNQ and F4-TCNQ.
Phys Chem Chem Phys
; 20(5): 3784-3794, 2018 Jan 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-29349447