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1.
A Highly Sensitive and Selective Fluorescent Probe for the Detection of Cerium(III) Using Tridentate Based-Oxazolidine: Experimental and DFT Investigations.
J Fluoresc
; 33(1): 145-152, 2023 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-36301442
2.
Skin sensitization prediction using quantum chemical calculations: a theoretical model for the S(N)Ar domain.
Chem Res Toxicol
; 27(1): 51-60, 2014 Jan 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-24410586
3.
Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positions.
Photochem Photobiol Sci
; 13(3): 583-94, 2014 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-24493103
4.
Experimental and Molecular Dynamics Simulation Insights into Adsorption of Co(II), Cr(III), and Cu(II) on Chitosan and Chitosan/Tripolyphosphate Nanoparticles.
ACS Omega
; 9(3): 4019-4026, 2024 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38284062
5.
Stability improvement of UV-filter between methoxy cinnamic acid derivatives and cyclodextrins inclusion complexes based on DFT and TD-DFT investigations.
J Mol Graph Model
; 125: 108619, 2023 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37666055
6.
A novel highly selective FRET sensor for Fe(III) and DFT mechanistic evaluation.
Spectrochim Acta A Mol Biomol Spectrosc
; 286: 122031, 2023 Feb 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-36323091
7.
Absorption and emission spectra of ultraviolet B blocking methoxy substituted cinnamates investigated using the symmetry-adapted cluster configuration interaction method.
J Chem Phys
; 131(22): 224306, 2009 Dec 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-20001035
8.
A selective fluorescence probe based on naphthalene for the detection of barium(II).
Spectrochim Acta A Mol Biomol Spectrosc
; 207: 118-122, 2019 Jan 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-30216825
9.
The challenges involved in modeling toxicity data in silico: a review.
Curr Pharm Des
; 18(9): 1266-91, 2012.
Artículo
en Inglés
| MEDLINE | ID: mdl-22316153
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