|
1
|
Furanone derivatives as quorum-sensing antagonists of Pseudomonas aeruginosa.
|
Appl Microbiol Biotechnol
|
2008
|
0.99
|
|
2
|
Concurrent primary and secondary deuterium kinetic isotope effects in anilinolysis of O-aryl methyl phosphonochloridothioates.
|
Org Biomol Chem
|
2009
|
0.86
|
|
3
|
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
|
2011
|
0.84
|
|
4
|
Kinetics and mechanism of the aminolysis of aryl phenyl chlorothiophosphates with anilines.
|
J Org Chem
|
2007
|
0.83
|
|
5
|
Kinetics and mechanism of the anilinolyses of aryl dimethyl, methyl phenyl and diphenyl phosphinates.
|
Org Biomol Chem
|
2010
|
0.83
|
|
6
|
Kinetics and mechanism of the aminolysis of aryl ethyl chloro and chlorothio phosphates with anilines.
|
Org Biomol Chem
|
2007
|
0.83
|
|
7
|
Development of inhibitors against TraR quorum-sensing system in Agrobacterium tumefaciens by molecular modeling of the ligand-receptor interaction.
|
Mol Cells
|
2009
|
0.79
|
|
8
|
Formylchromone derivatives as irreversible and selective inhibitors of human protein tyrosine phosphatase 1B. Kinetic and modeling studies.
|
Bioorg Med Chem
|
2005
|
0.79
|
|
9
|
Mechanism for the reaction of 2-naphthol with N-methyl-N-phenyl-hydrazine suggested by the density functional theory investigations.
|
J Comput Chem
|
2011
|
0.79
|
|
10
|
Quantum mechanics study and Monte Carlo simulation on the hydrolytic deamination of 5-methylcytosine glycol.
|
Phys Chem Chem Phys
|
2011
|
0.78
|
|
11
|
Barrier effect of dendrons on TiO2 particles in dye sensitized solar cells.
|
Chem Commun (Camb)
|
2010
|
0.78
|
|
12
|
Comprehensive studies on the tautomerization of glycine: a theoretical study.
|
Org Biomol Chem
|
2013
|
0.77
|
|
13
|
3D QSAR studies on cinnamaldehyde analogues as farnesyl protein transferase inhibitors.
|
Arch Pharm Res
|
2004
|
0.77
|
|
14
|
Structural understanding of quorum-sensing inhibitors by molecular modeling study in Pseudomonas aeruginosa.
|
Appl Microbiol Biotechnol
|
2009
|
0.77
|
|
15
|
DFT study and Monte Carlo simulation on proton transfers of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water.
|
J Comput Chem
|
2005
|
0.77
|
|
16
|
Molecular modeling, synthesis, and screening of new bacterial quorumsensing antagonists.
|
J Microbiol Biotechnol
|
2007
|
0.75
|
|
17
|
Reexamination of the π-bond strengths within H2C=XHn systems: a theoretical study.
|
J Comput Chem
|
2010
|
0.75
|
|
18
|
Theoretical investigation on mechanism of asymmetric Michael addition of malononitrile to chalcones catalyzed by Cinchona alkaloid aluminium(III) complex.
|
Org Biomol Chem
|
2011
|
0.75
|
|
19
|
Theoretical studies on the gas-phase pyrolysis of 2-phenoxycarboxylic acids: an ONIOM approach.
|
J Comput Chem
|
2003
|
0.75
|
|
20
|
Computational study on the aminolysis of beta-hydroxy-alpha,beta-unsaturated ester via the favorable path including the formation of alpha-oxo ketene intermediate.
|
J Phys Chem A
|
2008
|
0.75
|
|
21
|
Modeling studies on the uptake of hydrogen molecules by graphene.
|
J Mol Model
|
2015
|
0.75
|
|
22
|
Computational studies on the dimers and the thermal dimerization of norbornadiene.
|
J Comput Chem
|
2008
|
0.75
|
|
23
|
Theoretical study on the hydrolysis mechanism of N,N-dimethyl-N'-(2-oxo-1, 2-dihydro-pyrimidinyl)formamidine: water-assisted mechanism and cluster-continuum model.
|
J Comput Chem
|
2008
|
0.75
|
|
24
|
Theoretical studies on the formation mechanism and explosive performance of nitro-substituted 1,3,5-triazines.
|
J Comput Chem
|
2010
|
0.75
|
|
25
|
Mechanisms of norbornadiene dimerization to Binor-S using cationic Co(I), Rh(I), and Ir(I) catalysts.
|
J Comput Chem
|
2010
|
0.75
|
|
26
|
Gas-phase identity nucleophilic substitution reactions of cyclopropenyl halides.
|
J Org Chem
|
2002
|
0.75
|
|
27
|
Unusual pi-donating effects of pi-accepting substituents on the stabilities of benzylic cations: a theoretical study.
|
J Phys Chem A
|
2006
|
0.75
|
|
28
|
Theoretical studies on the hydrolysis mechanism of N-(2-oxo-1,2-dihydro-pyrimidinyl) formamide.
|
J Phys Chem B
|
2007
|
0.75
|
|
29
|
Trienamine catalysis for asymmetric Diels-Alder reactions of 2,4-dienones: a theoretical investigation.
|
Org Biomol Chem
|
2015
|
0.75
|
|
30
|
Effects of basis set superposition error on optimized geometries and complexation energies of organo-alkali metal cation complexes.
|
J Phys Chem A
|
2009
|
0.75
|