Detalles de la búsqueda
1.
Discovery of novel glucosinolates inhibiting advanced glycation end products: Virtual screening and molecular dynamic simulation.
Proteins
; 91(9): 1351-1360, 2023 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-37163477
2.
Mechanism and Selectivity of Cyclopropanation of 3-Alkenyl-oxindoles with Sulfoxonium Ylides Catalyzed by a Chiral N,N'-Dioxide-Mg(II) Complex.
J Org Chem
; 86(17): 11683-11697, 2021 09 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-34343433
3.
Trienamine catalysis for asymmetric Diels-Alder reactions of 2,4-dienones: a theoretical investigation.
Org Biomol Chem
; 13(22): 6313-24, 2015 Jun 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-25967981
4.
Comprehensive studies on the tautomerization of glycine: a theoretical study.
Org Biomol Chem
; 11(8): 1407-13, 2013 Feb 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-23334558
5.
Mechanism for the reaction of 2-naphthol with N-methyl-N-phenyl-hydrazine suggested by the density functional theory investigations.
J Comput Chem
; 33(2): 220-30, 2012 Jan 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-22042734
6.
Theoretical studies on 2,3,5,6-Tetra(1H-tetrazol-5-yl)pyrazine and 1,1-diamino-2,2-Dinitroethylene blending system.
J Mol Graph Model
; 116: 108235, 2022 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-35716640
7.
Reexamination of the π-bond strengths within H2C=XHn systems: a theoretical study.
J Comput Chem
; 32(7): 1361-7, 2011 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-21425291
8.
Theoretical investigation on mechanism of asymmetric Michael addition of malononitrile to chalcones catalyzed by Cinchona alkaloid aluminium(III) complex.
Org Biomol Chem
; 9(18): 6402-9, 2011 Sep 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-21796318
9.
Kinetics and mechanism of the anilinolyses of aryl dimethyl, methyl phenyl and diphenyl phosphinates.
Org Biomol Chem
; 9(3): 717-24, 2011 Feb 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-21082126
10.
Quantum mechanics study and Monte Carlo simulation on the hydrolytic deamination of 5-methylcytosine glycol.
Phys Chem Chem Phys
; 13(14): 6471-83, 2011 Apr 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-21380473
11.
Comparative studies on the reactions of acetyl and thioacetyl halides with NH3 in the gas phase and in aqueous solution: a theoretical study.
J Phys Chem A
; 115(8): 1364-70, 2011 Mar 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-21299231
12.
Synthesis, Biological Evaluation, and 3D-QSAR Studies of N-(Substituted pyridine-4-yl)-1-(substituted phenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxamide Derivatives as Potential Succinate Dehydrogenase Inhibitors.
J Agric Food Chem
; 69(4): 1214-1223, 2021 Feb 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33480684
13.
Mechanisms of norbornadiene dimerization to Binor-S using cationic Co(I), Rh(I), and Ir(I) catalysts.
J Comput Chem
; 31(12): 2248-57, 2010 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-20186862
14.
Theoretical studies on the formation mechanism and explosive performance of nitro-substituted 1,3,5-triazines.
J Comput Chem
; 31(13): 2483-92, 2010 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-20652990
15.
Author Correction: Structure-antioxidant activity relationship of methoxy, phenolic hydroxyl, and carboxylic acid groups of phenolic acids.
Sci Rep
; 10(1): 5666, 2020 Mar 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-32205855
16.
Structure-antioxidant activity relationship of methoxy, phenolic hydroxyl, and carboxylic acid groups of phenolic acids.
Sci Rep
; 10(1): 2611, 2020 02 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-32054964
17.
Concurrent primary and secondary deuterium kinetic isotope effects in anilinolysis of O-aryl methyl phosphonochloridothioates.
Org Biomol Chem
; 7(14): 2919-25, 2009 Jul 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-19582302
18.
Effects of basis set superposition error on optimized geometries and complexation energies of organo-alkali metal cation complexes.
J Phys Chem A
; 113(2): 513-9, 2009 Jan 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-19090678
19.
Structural understanding of quorum-sensing inhibitors by molecular modeling study in Pseudomonas aeruginosa.
Appl Microbiol Biotechnol
; 83(6): 1095-103, 2009 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-19330325
20.
A water-stable zinc(ii)-organic framework as a multiresponsive luminescent sensor for toxic heavy metal cations, oxyanions and organochlorine pesticides in aqueous solution.
Dalton Trans
; 48(44): 16776-16785, 2019 Nov 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-31674607