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- Currently displaying 18281 - 18300 of 29853 publications
State-Resolved Reactivity of CH4(2ν3) on Pt(111) and Ni(111): Effects of Barrier Height and Transition State Location
The Journal of Physical Chemistry A
(2007)
111
12679
(doi: 10.1021/jp076082w)
Watching nanoparticles grow: The mechanism and kinetics for the formation of TiO2-Supported Platinum Nanoparticles
Journal of the American Chemical Society
(2007)
129
13822
(doi: 10.1021/ja076437p)
A Planar Carboxylate-Rich Tetrairon(II) Complex and Its Conversion to Linear Triiron(II) and Paddlewheel Diiron(II) Complexes
Inorganic Chemistry
(2007)
46
10754
(doi: 10.1021/ic701663j)
The Mechanism of TBD-Catalyzed Ring-Opening Polymerization of Cyclic Esters
The Journal of Organic Chemistry
(2007)
72
9656
(doi: 10.1021/jo702088c)
Asset Pricing with Limited Risk Sharing and Heterogeneous Agents
Review of Financial Studies
(2007)
21
415
(doi: 10.1093/rfs/hhm063)
Conformational stability of Helicobacter pylori flavodoxin - Fit to function at pH 5
Journal of Biological Chemistry
(2007)
283
2883
(doi: 10.1074/jbc.m705677200)
Accurate Induction Energies for Small Organic Molecules. 2. Development and Testing of Distributed Polarizability Models against SAPT(DFT) Energies
Journal of chemical theory and computation
(2007)
4
19
(doi: 10.1021/ct700105f)
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
Angew Chem Int Ed Engl
(2007)
46
8656
(doi: 10.1002/anie.200703767)
(1R,4R,7R,8R,9R)-8-Benz-yloxy-7-benzyl-oxymeth-yl-2,5,10-trioxa-tricyclo- [5.2.1.04,8]decan-9-ol
Acta Crystallographica Section E Structure Reports Online
(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
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
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)
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 CaCO(3).
Langmuir
(2007)
23
12655
(doi: 10.1021/la7026225)