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1.
Degradation mechanism of 2-fluoropropene by Cl atoms: experimental and theoretical products distribution studies.
Phys Chem Chem Phys
; 24(8): 5094-5108, 2022 Feb 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35147616
2.
Correcting the Experimental Enthalpies of Formation of Some Members of the Biologically Significant Sulfenic Acids Family.
J Phys Chem A
; 126(36): 6091-6109, 2022 Sep 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36044372
3.
Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The "Hidden" Routes to Cresols and Benzaldehyde.
J Phys Chem A
; 124(28): 5917-5930, 2020 Jul 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-32543200
4.
Calculation of the Geometries and Infrared Spectra of the Stacked Cofactor Flavin Adenine Dinucleotide (FAD) as the Prerequisite for Studies of Light-Triggered Proton and Electron Transfer.
Biomolecules
; 10(4)2020 04 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32283685
5.
Theoretical study of the reactions of the hydroselenyl radical (HSeâ) with the selenenic radical (HSeOâ).
J Mol Model
; 24(1): 3, 2017 Dec 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-29209850
6.
A new perspective in the Lewis acid catalyzed ring opening of epoxides. Theoretical study of some complexes of methanol, acetic acid, dimethyl ether, diethyl ether, and ethylene oxide with boron trifluoride.
J Phys Chem A
; 110(41): 11734-51, 2006 Oct 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-17034168
7.
Molecular structure and internal rotation in 2,3,5,6-tetrafluoroanisole as studied by gas-phase electron diffraction and quantum chemical calculations.
J Phys Chem A
; 109(2): 394-9, 2005 Jan 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-16833358
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