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1.
Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2îCFCl) initiated by OH radicals.
Phys Chem Chem Phys
; 25(19): 13630-13644, 2023 May 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-37144555
2.
Closer Investigation of the Kinetics and Mechanism of Spirovinylcyclopropyl Oxindole Reaction with 3Σ-g-O2 by Topological Approaches and Unraveling the Role of the I2 Catalyst.
J Phys Chem A
; 125(32): 6913-6926, 2021 Aug 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-34369789
3.
Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications.
Phys Chem Chem Phys
; 21(16): 8445-8456, 2019 Apr 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-30950472
4.
Following the Molecular Mechanism of Decarbonylation of Unsaturated Cyclic Ketones Using Bonding Evolution Theory Coupled with NCI Analysis.
J Phys Chem A
; 121(44): 8504-8517, 2017 Nov 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-29032676
5.
First-Principles Investigations of the Structure, Electronic, and Optical Properties of Mullite-Type Orthorhombic Bi2M4O9 (M = Al(3+), Ga(3+)).
Inorg Chem
; 55(10): 4824-35, 2016 05 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-27139249
6.
Theoretical investigation on the mechanism and kinetics of the OHâ¢âinitiated atmospheric degradation of p-chloroaniline: Addition of ∑g-3O2 and isomerization of peroxy radicals.
J Mol Graph Model
; 126: 108651, 2024 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37865033
7.
Palladium doped PDA-coated hercynite as a highly efficient catalyst for mild hydrogenation of nitroareness.
Sci Rep
; 14(1): 11969, 2024 May 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-38796550
8.
Atmospheric degradation mechanism of anthracene initiated by OHâ¢: A DFT prediction.
J Mol Graph Model
; 121: 108426, 2023 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-36806124
9.
Theoretical investigation on the mechanism and kinetics of the OHâ¢âinitiated atmospheric degradation of p-chloroaniline via OHâ¢âaddition and hydrogen abstraction pathways.
J Mol Graph Model
; 114: 108198, 2022 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-35453050
10.
A comprehensive theoretical analysis of Curtius rearrangement of syn-syn and syn-anti conformers of oxalyl diazide.
J Mol Graph Model
; 109: 108012, 2021 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-34478927
11.
Unraveling the kinetics and molecular mechanism of gas phase pyrolysis of cubane to [8]annulene.
RSC Adv
; 10(54): 32730-32739, 2020 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-35516465
12.
Understanding the kinetics and molecular mechanism of unimolecular gas phase thermal decomposition of the α-ketoester methyl benzoylformate using RRKM and BET theories.
J Mol Graph Model
; 87: 22-29, 2019 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-30472634
13.
Kinetic and mechanistic insight into the OH-initiated atmospheric oxidation of 2,3,7,8-tetrachlorodibenzo-p-dioxin via OH-addition and hydrogen abstraction pathways: A theoretical investigation.
Sci Total Environ
; 679: 106-114, 2019 Aug 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-31082585
14.
Coronally advanced flap and connective tissue graft with or without plasma rich in growth factors (PRGF) in treatment of gingival recession.
J Clin Exp Dent
; 10(5): e431-e438, 2018 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-29849966
15.
Guided tissue regeneration and platelet rich growth factor for the treatment of Grade II furcation defects: A randomized double-blinded clinical trial - A pilot study.
Dent Res J (Isfahan)
; 14(6): 363-369, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-29238373
16.
The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.
Dalton Trans
; 45(31): 12559-68, 2016 Aug 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-27437784
17.
Mechanism and regioselectivity of the reversible Diels-Alder cycloaddition of 2-methyl-1,3 butadiene with C48B6N6 heterofullerene: a DFT approach.
J Mol Graph Model
; 53: 212-220, 2014 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-25203975
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