Detalhe da pesquisa
1.
A DFT study of the active role of the phosphate group of an internal aldimine in a transamination reaction.
Org Biomol Chem
; 20(26): 5334-5341, 2022 07 06.
Artigo
Inglês
| MEDLINE | ID: mdl-35748359
2.
How is vitamin B1 oxidized to thiochrome? Elementary processes revealed by a DFT study.
Org Biomol Chem
; 19(20): 4529-4536, 2021 05 26.
Artigo
Inglês
| MEDLINE | ID: mdl-33929469
3.
Brønsted acid-induced transannulation of the phytochemical zerumbone.
Org Biomol Chem
; 19(47): 10444-10454, 2021 12 08.
Artigo
Inglês
| MEDLINE | ID: mdl-34812828
4.
How Is the Oxidation Related to the Tautomerization in Vitamin B9?
J Phys Chem A
; 125(42): 9346-9354, 2021 Oct 28.
Artigo
Inglês
| MEDLINE | ID: mdl-34663066
5.
Synthesis and Systematic Structural Analysis of Cationic Half-Sandwich Ruthenium Chalcogenocarbonyl Complexes.
Chemistry
; 26(17): 3795-3802, 2020 Mar 23.
Artigo
Inglês
| MEDLINE | ID: mdl-31925839
6.
Remarkable Potential of Zerumbone to Generate a Library with Six Natural Product-like Skeletons by Natural Material-Related Diversity-Oriented Synthesis.
J Org Chem
; 85(13): 8371-8386, 2020 07 02.
Artigo
Inglês
| MEDLINE | ID: mdl-32524816
7.
Frontier orbitals and transition states in the oxidation and degradation of L-ascorbic acid: a DFT study.
Org Biomol Chem
; 13(13): 4002-15, 2015 Apr 07.
Artigo
Inglês
| MEDLINE | ID: mdl-25723880
8.
DFT study of internal alkyne-to-disubstituted vinylidene isomerization in [CpRu(PhC≡CAr)(dppe)]+.
J Am Chem Soc
; 134(42): 17746-56, 2012 Oct 24.
Artigo
Inglês
| MEDLINE | ID: mdl-22992130
9.
A DFT study on the degradation mechanism of vitamin B2.
Food Chem (Oxf)
; 4: 100080, 2022 Jul 30.
Artigo
Inglês
| MEDLINE | ID: mdl-35415686
10.
Correlation between the rate order and the number of molecules in the reaction of trimethyl phosphite with water in acetonitrile solvent.
J Phys Chem A
; 114(43): 11699-707, 2010 Nov 04.
Artigo
Inglês
| MEDLINE | ID: mdl-20942499
11.
DFT Study of the Hydroxyl Radical Addition to 2'-Deoxyguanosine and the Guanine Base in Four Double-Stranded B-Form Dimers.
J Phys Chem B
; 124(8): 1374-1382, 2020 02 27.
Artigo
Inglês
| MEDLINE | ID: mdl-32011138
12.
Synthesis and properties of anionic ruthenium thionitrosyl and selenonitrosyl complexes that contain tetraanionic 2-hydroxybenzamidobenzene ligands.
Dalton Trans
; 49(3): 613-624, 2020 Jan 21.
Artigo
Inglês
| MEDLINE | ID: mdl-31833532
13.
A new mechanism for the Favorskii rearrangement.
Org Biomol Chem
; 6(17): 3109-17, 2008 Sep 07.
Artigo
Inglês
| MEDLINE | ID: mdl-18698470
14.
P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.
Chem Commun (Camb)
; 54(42): 5357-5360, 2018 May 22.
Artigo
Inglês
| MEDLINE | ID: mdl-29744492
15.
R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.
Dalton Trans
; 45(48): 19216-19220, 2016 Dec 06.
Artigo
Inglês
| MEDLINE | ID: mdl-27774527
16.
A ruthenium tellurocarbonyl (CTe) complex with a cyclopentadienyl ligand: systematic studies of a series of chalcogenocarbonyl complexes [CpRuCl(CE)(H2IMes)] (E = O, S, Se, Te).
Dalton Trans
; 46(1): 44-48, 2016 Dec 20.
Artigo
Inglês
| MEDLINE | ID: mdl-27918046
17.
Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(III) complex.
Dalton Trans
; 44(40): 17448-52, 2015 Oct 28.
Artigo
Inglês
| MEDLINE | ID: mdl-26328544
18.
Reaction paths of the water-assisted solvolysis of N,N-dimethylformamide.
J Phys Chem A
; 111(28): 6296-303, 2007 Jul 19.
Artigo
Inglês
| MEDLINE | ID: mdl-17580828
19.
Theoretical study of the role of solvent H2O in neopentyl and pinacol rearrangements.
J Comput Chem
; 28(9): 1561-1571, 2007 Jul 15.
Artigo
Inglês
| MEDLINE | ID: mdl-17345571
20.
Active Role of Hydrogen Bonds in Rupe and Meyer-Schuster Rearrangements.
J Chem Theory Comput
; 2(5): 1379-87, 2006 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-26626845