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- Currently displaying 18341 - 18360 of 29903 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.
The Journal of chemical physics
(2007)
127
184104
(doi: 10.1063/1.2790009)
A Sydnone Cycloaddition Route to Pyrazole Boronic Esters
Angewandte Chemie International Edition
(2007)
46
8656
(doi: 10.1002/anie.200703767)
(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)
Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol
Organic & Biomolecular Chemistry
(2007)
6
81
(doi: 10.1039/b713888a)
Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency.
Journal of Medicinal Chemistry
(2007)
50
5912
(doi: 10.1021/jm070829p)
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 a initio and classical computer simulations
Acc Chem Res
(2007)
40
1156
(doi: 10.1021/ar700069c)
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems
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
ARTN L21801
(doi: 10.1029/2007gl031032)
Molecular recognition controls the organization of mixed self-organized bis-urea-based mineralization templates for CaCO(3).
Langmuir
(2007)
23
12655
(doi: 10.1021/la7026225)
Optimized effective potentials from electron densities in finite basis sets.
The Journal of Chemical Physics
(2007)
127
174101
(doi: 10.1063/1.2800021)
A soft effective segment representation of semidilute polymer solutions.
J Chem Phys
(2007)
127
171102
(doi: 10.1063/1.2803421)
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)
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
Investigating the Specific Interactions between Carbonic Anhydrase and a Sulfonamide Inhibitor by Single-Molecule Force Spectroscopy
Langmuir : the ACS journal of surfaces and colloids
(2007)
23
12561
(doi: 10.1021/la702148v)
A flow process for the multistep synthesis of the alkaloid natural product oxomaritidine: A new paradigm for molecular assembly
Chemtracts
(2007)
20
462
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
Group 2 (Be-Ba) and group 12 (Zn-Hg)
Organometallic Chemistry
(2007)
31
70
(doi: 10.1039/9781847554208-00070)