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- Currently displaying 17941 - 17960 of 29292 publications
State-Resolved Reactivity of CH4(2ν3) on Pt(111) and Ni(111): Effects of Barrier Height and Transition State Location †
J Phys Chem A
(2007)
111
12679
(doi: 10.1021/jp076082w)
The mechanism of TBD-catalyzed ring-opening polymerization of cyclic esters
Journal of Organic Chemistry
(2007)
72
9656
(doi: 10.1021/jo702088c)
A planar carboxylate-rich tetraironII complex and its conversion to linear triironII and paddlewheel diironII complexes.
Inorg Chem
(2007)
46
10754
(doi: 10.1021/ic701663j)
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
J Biol Chem
(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.
J Chem Theory Comput
(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 †
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.
J Chem Phys
(2007)
127
184104
(doi: 10.1063/1.2790009)
A Sydnone Cycloaddition Route to Pyrazole Boronic Esters
Angewandte Chemie (International ed. in English)
(2007)
46
8656
(doi: 10.1002/anie.200703767)
(1R,4R,7R,8R,9R)-8-benzyloxy-7-benzyloxymethyl-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
Org Biomol Chem
(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)
Single-molecule level analysis of the subunit composition of the T cell receptor on live T cells
Proceedings of the National Academy of Sciences of the United States of America
(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
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)
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.
The Journal of Chemical Physics
(2007)
127
171102
(doi: 10.1063/1.2803421)
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)