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- Currently displaying 18301 - 18320 of 29639 publications
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.
Journal of Chemical Physics
(2007)
127
184104
(doi: 10.1063/1.2790009)
A sydnone cycloaddition route to pyrazole boronic esters
Angew Chem Int Ed Engl
(2007)
46
8656
(doi: 10.1002/anie.200703767)
Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol
Organic and Biomolecular Chemistry
(2007)
6
81
(doi: 10.1039/b713888a)
Application of fragment-based lead generation to the discovery of novel, cyclic amidine β-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency
Journal of medicinal chemistry
(2007)
50
5912
(doi: 10.1021/jm070829p)
(1R,4R,7R,8R,9R)-8-Benzyloxy-7-benzyloxymethyl-2,5,10-trioxatricyclo[5.2.1.04,8]decan-9-ol
Acta Crystallographica Section E: Crystallographic Communications
(2007)
63
o4537
(doi: 10.1107/s1600536807053536)
Single-molecule level analysis of the subunit composition of the T cell receptor on live T cells
Proceedings of the National Academy of Sciences
(2007)
104
17662
(doi: 10.1073/pnas.0700411104)
Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations
Accounts of Chemical Research
(2007)
40
1156
(doi: 10.1021/ar700069c)
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems.
The Journal of Chemical Physics
(2007)
127
174103
(doi: 10.1063/1.2800320)
Atmospheric transformation of enols: A potential secondary source of carboxylic acids in the urban troposphere
Geophysical Research Letters
(2007)
34
2007GL031032
(doi: 10.1029/2007GL031032)
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C 4 N 4 -heterocycle
Organic & Biomolecular Chemistry
(2007)
5
3909
(doi: 10.1039/b715209d)
Investigating the Specific Interactions between Carbonic Anhydrase and a Sulfonamide Inhibitor by Single-Molecule Force Spectroscopy
Langmuir
(2007)
23
12561
(doi: 10.1021/la702148v)
A soft effective segment representation of semidilute polymer solutions
The Journal of Chemical Physics
(2007)
127
171102
(doi: 10.1063/1.2803421)
Optimized effective potentials from electron densities in finite basis sets.
J Chem Phys
(2007)
127
174101
(doi: 10.1063/1.2800021)
Molecular recognition controls the organization of mixed self-organized bis-urea-based mineralization templates for CaCO3
Langmuir
(2007)
23
12655
(doi: 10.1021/la7026225)
Comment on 'Long-term atmospheric measurements of C-1-C-5 alkyl nitrates in the Pearl River Delta region of southeast China' by Simpson et al.
Atmospheric Environment
(2007)
41
7369
Mutagenicity of tamoxifen-DNA adducts in human endometrial cells and in silico prediction of p53 mutation hotspots
MUTAGENESIS
(2007)
22
446
Does UV irradiation of PAH's synergistically increase their genotoxicity?
MUTAGENESIS
(2007)
22
449
A flow process for the multistep synthesis of the alkaloid natural product oxomaritidine: A new paradigm for molecular assembly
Chemtracts
(2007)
20
462
Comparison of simple perturbation-theory estimates for the liquid-solid and the liquid-vapor interfacial free energies of Lennard-Jones systems
Molecular Simulation
(2007)
33
1023
(doi: 10.1080/08927020701579352)
