Detalles de la búsqueda
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.
Hydride Pinning Pathway in the Hydrogenation of CO2 to Formic Acid on Dimeric Tin Dioxide.
Chemphyschem
; 20(5): 680-686, 2019 03 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-30648792
3.
Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.
J Org Chem
; 80(13): 6776-83, 2015 Jul 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-26036359
4.
A theoretical investigation on kinetics, mechanism, and thermochemistry of the gas-phase reactions of methyl fluoroacetate with OH radicals and fate of alkoxy radical.
J Phys Chem A
; 118(38): 8779-86, 2014 Sep 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-25170971
5.
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
6.
Integrated pretreatment of banana agrowastes: Structural characterization and enhancement of enzymatic hydrolysis of cellulose obtained from banana peduncle.
Int J Biol Macromol
; 201: 298-307, 2022 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-34999043
7.
Glycome Profiling and Bioprospecting Potential of the Himalayan Buddhist Handmade Paper of Tawang Region of Arunachal Pradesh.
Front Plant Sci
; 13: 831589, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35677250
8.
Incorporation of transition to transversion ratio and nonsense mutations, improves the estimation of the number of synonymous and non-synonymous sites in codons.
DNA Res
; 29(4)2022 Jun 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-35920776
9.
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
10.
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
11.
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
12.
Immunoinformatics mapping of potential epitopes in SARS-CoV-2 structural proteins.
PLoS One
; 16(11): e0258645, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34780495
13.
Greener production of microcrystalline cellulose (MCC) from Saccharum spontaneum (Kans grass): Statistical optimization.
Int J Biol Macromol
; 154: 672-682, 2020 Jul 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-32198044
14.
Unveiling the Role of Hydrogen Bonding and g-Tensor in the Interaction of Ru-Bis-DMSO with Amino Acid Residue and Human Serum Albumin.
J Phys Chem B
; 124(30): 6459-6474, 2020 07 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-32628490
15.
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
16.
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
17.
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
18.
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
19.
Anti-tubercular drug development: computational strategies to identify potential compounds.
J Mol Graph Model
; 62: 56-68, 2015 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-26386453
20.
Theoretical insight on atmospheric chemistry of HFE-365mcf3: reactions with OH radicals, atmospheric lifetime, and fate of alkoxy radicals (CF3CF2CH(O(â¢))OCH3/CF3CF2CH2OCH2O(â¢)).
J Mol Model
; 21(4): 69, 2015 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-25750024