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- Currently displaying 19181 - 19200 of 30651 publications
Accurate Induction Energies for Small Organic Molecules: 1. Theory.
Journal of Chemical Theory and Computation
(2007)
4
7
(doi: 10.1021/ct700104t)
A Classical Point Charge Model Study of System Size Dependence of Oxidation and Reorganization Free Energies in Aqueous Solution
The Journal of Physical Chemistry B
(2007)
112
257
(doi: 10.1021/jp0748516)
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
Angewandte Chemie International Edition
(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
J Med Chem
(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.
Proc Natl Acad Sci U S A
(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)
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
Organic & Biomolecular Chemistry
(2007)
5
3909
(doi: 10.1039/b715209d)
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)
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)
Molecular recognition controls the organization of mixed self-organized bis-urea-based mineralization templates for CaCO3
Langmuir : the ACS journal of surfaces and colloids
(2007)
23
12655
(doi: 10.1021/la7026225)
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)
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
