Detalhe da pesquisa
1.
Photochemical Mechanisms of Hydroxyquinoline Benzimidazole: Insights from Electronic Structure Calculations and Nonadiabatic Dynamics Simulations.
J Phys Chem A
; 128(11): 1984-1992, 2024 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38446415
2.
Mechanistic Insights into the Excited-State Intramolecular Proton Transfer (ESIPT) Process of 2-(2-Aminophenyl)naphthalene.
J Phys Chem A
; 128(19): 3801-3811, 2024 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38709493
3.
Structures and Energetics of E2H3+ (E = As, Sb, and Bi) Cations.
J Phys Chem A
; 128(3): 563-571, 2024 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38227954
4.
Exosomal LOC85009 inhibits docetaxel resistance in lung adenocarcinoma through regulating ATG5-induced autophagy.
Drug Resist Updat
; 67: 100915, 2023 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36641841
5.
Thymic lymphoma detection in RORγ knockout mice using 5-hydroxymethylcytosine profiling of circulating cell-free DNA.
Toxicol Appl Pharmacol
; 473: 116582, 2023 08 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-37295732
6.
Non-adiabatic dynamics simulations of the S1 excited-state relaxation of diacetyl phenylenediamine.
Phys Chem Chem Phys
; 25(28): 19098-19105, 2023 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37427748
7.
Excited-state relaxation mechanisms of 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol: single- or double-proton transfer?
Phys Chem Chem Phys
; 25(44): 30679-30686, 2023 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-37933753
8.
Excited-state photochemistry dynamics of 2-(1-naphthyl) phenol: electronic structure calculations and non-adiabatic dynamics simulations.
Phys Chem Chem Phys
; 24(35): 21358-21366, 2022 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36043575
9.
Combined QM (MS-CASPT2)/MM studies on photocyclization and photoisomerization of a fulgide derivative in toluene solution.
Phys Chem Chem Phys
; 24(48): 29918-29926, 2022 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36468632
10.
Excited-State Deactivation Mechanism of 3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazole: Electronic Structure Calculations and Nonadiabatic Dynamics Simulations.
J Phys Chem A
; 126(25): 4002-4012, 2022 Jun 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-35730538
11.
T cells and monocyte-derived myeloid cells mediate immunotherapy-related hepatitis in a mouse model.
J Hepatol
; 75(5): 1083-1095, 2021 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34242700
12.
Expression of Hematopoietic Stem and Endothelial Cell Markers in Canine Hemangiosarcoma.
Toxicol Pathol
; 48(3): 481-493, 2020 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-31918642
13.
Photochemical mechanism of 1,5-benzodiazepin-2-one: electronic structure calculations and nonadiabatic surface-hopping dynamics simulations.
Phys Chem Chem Phys
; 21(19): 10086-10094, 2019 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31062014
14.
Electronic structure calculations and nonadiabatic dynamics simulations of excited-state relaxation of Pigment Yellow 101.
Phys Chem Chem Phys
; 20(9): 6524-6532, 2018 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29446425
15.
Excited-State Decay Pathways of Flavin Molecules in Five Redox Forms: The Role of Conical Intersections.
J Phys Chem A
; 122(40): 7954-7961, 2018 Oct 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30230335
16.
Theoretical study on photooxidation mechanism of ruthenium complex [Ru(II)-(bpy)2 (TMBiimH2 )](2+) with molecular oxygen.
J Comput Chem
; 37(24): 2212-9, 2016 09 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27384925
17.
A theoretical study of ruthenium complexes with 2,2'-biimidazole-like ligands: structural, optical and emissive properties.
Photochem Photobiol Sci
; 15(9): 1138-1147, 2016 08 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-27454575
18.
Photophysics of Auramine-O: electronic structure calculations and nonadiabatic dynamics simulations.
Phys Chem Chem Phys
; 18(1): 403-13, 2016 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26615798
19.
How Photoisomerization Drives Peptide Folding and Unfolding: Insights from QM/MM and MM Dynamics Simulations.
Angew Chem Int Ed Engl
; 55(6): 2067-72, 2016 Feb 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-26836339
20.
Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.
Phys Chem Chem Phys
; 17(15): 9687-97, 2015 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25711992