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1.
Reaction Mechanism and Kinetics for the Selective Hydrogenation of Carbon Dioxide to Formic Acid and Methanol over the [Cu2]0,±1 Dimer.
J Phys Chem A
; 127(41): 8508-8529, 2023 Oct 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-37811794
2.
Understanding the Atmospheric Oxidation of HFE-7500 (C3F7CF(OC2H5)CF(CF3)2) Initiated by Cl Atom and NO3 Radical from Theory.
J Phys Chem A
; 122(33): 6799-6808, 2018 Aug 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-30044096
3.
Unprecedented iron-assisted room temperature synthesis of AgCN using acetonitrile.
RSC Adv
; 14(15): 10416-10421, 2024 Mar 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-38567347
4.
Oxidation pathways and kinetics of the 1,1,2,3-tetrafluoropropene (CF2îCF-CH2F) reaction with Cl-atoms and subsequent aerial degradation of its product radicals in the presence of NO.
Environ Sci Process Impacts
; 26(4): 734-750, 2024 Apr 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-38426396
5.
Atmospheric insight into the reaction mechanism and kinetics of isopropenyl methyl ether (i-PME) initiated by OH radicals and subsequent oxidation of product radicals.
Environ Sci Pollut Res Int
; 28(33): 45646-45662, 2021 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-33876365
6.
Computational modelling of nanotube delivery of anti-cancer drug into glutathione reductase enzyme.
Sci Rep
; 11(1): 4950, 2021 03 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-33654109
7.
Light-induced synthesis of unsymmetrical organic carbonates from alcohols, methanol and CO2 under ambient conditions.
Chem Commun (Camb)
; 57(95): 12800-12803, 2021 Nov 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-34783333
8.
Tropospheric degradation of 2-fluoropropene (CH3CFCH2) initiated by hydroxyl radical: Reaction mechanisms, kinetics and atmospheric implications from DFT study.
Chemosphere
; 238: 124556, 2020 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-31422310
9.
Atmospheric oxidation of HFE-7300 [n-C2F5CF(OCH3)CF(CF3)2] initiated by â¢OH/Cl oxidants and subsequent degradation of its product radical: a DFT approach.
Environ Sci Pollut Res Int
; 27(1): 907-920, 2020 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-31820248
10.
Oxidation pathways, kinetics and branching ratios of chloromethyl ethyl ether (CMEE) initiated by OH radicals and the fate of its product radical: an insight from a computational study.
Environ Sci Process Impacts
; 21(9): 1519-1531, 2019 Sep 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-31274139
11.
Mechanistic investigation of the atmospheric oxidation of bis(2-chloroethyl) ether (ClCH2CH2OCH2CH2Cl) by OH and NO3 radicals and Cl atoms: a DFT approach.
J Mol Model
; 25(2): 43, 2019 Jan 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-30675641
12.
Kinetics, mechanism, and global warming potentials of HFO-1234yf initiated by O3 molecules and NO3 radicals: insights from quantum study.
Environ Sci Pollut Res Int
; 25(26): 26144-26156, 2018 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-29971745
13.
Quantum mechanical study on the oxidation of ethyl vinyl ketone initiated by an OH radical.
Environ Sci Process Impacts
; 20(12): 1708-1715, 2018 Dec 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-30339175
14.
OH-initiated mechanistic pathways and kinetics of camphene and fate of product radical: a DFT approach.
Environ Sci Pollut Res Int
; 25(3): 2147-2156, 2018 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-29116529
15.
Theoretical investigation on the kinetics and branching ratio of the gas phase reaction of sevoflurane with Cl atom.
J Mol Model
; 19(11): 4815-22, 2013 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-24022782
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