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1.
DFT Study of Photochemical Properties and Radiative Forcing Efficiency Features of the Stereoisomers cis- and trans-CHClâCH-CF3.
J Phys Chem A
; 123(48): 10437-10445, 2019 Dec 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31697499
2.
Temperature-dependent oxidation of BSCAPE molecule in methanol medium.
J Mol Graph Model
; 105: 107850, 2021 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33592351
3.
Insight of UV-vis spectra and atmospheric implication for the reaction of ËOH radical towards glyphosate herbicide and its hydrates.
RSC Adv
; 11(27): 16404-16418, 2021 Apr 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-35479155
4.
Theoretical investigation of the atmospheric implication for the reaction of â¢OH radical with CF2C(CH3)-CX3, X = H, F.
J Mol Graph Model
; 106: 107905, 2021 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33984816
5.
Infrared spectra of PEHA molecule and its resistance to oxidation in water and methanol media at 298.15 K: solvent cluster size dependency.
J Mol Model
; 26(11): 323, 2020 Oct 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-33123831
6.
Thermodynamic of solvation, solute - Solvent electron transfer and ionization potential of BSCAPE molecule and its UV-vis spectra in aqueous solution.
J Mol Graph Model
; 92: 100-111, 2019 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-31349123
7.
Structure, antioxidative potency and potential scavenging of OH and OOH of phenylethyl-3,4-dihydroxyhydrocinnamate in protic and aprotic media: DFT study.
J Mol Graph Model
; 78: 221-233, 2017 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-29101851
8.
DFT study of the effect of solvent on the H-atom transfer involved in the scavenging of the free radicals (·)HO2 and (·)O2(-) by caffeic acid phenethyl ester and some of its derivatives.
J Mol Model
; 20(11): 2509, 2014 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-25388279
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