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- Currently displaying 19661 - 19680 of 31138 publications
State-resolved reactivity of CH4(2v3) on pt(111) and Xi(111): Effects of barrier height and transition state location
The journal of physical chemistry. A
(2007)
111
12679
(doi: 10.1021/jp076082w)
The mechanism of TBD-catalyzed ring-opening polymerization of cyclic esters.
The 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)
The Closed-Form Expansion of the Inverse Laplace Transform
IEEE Transactions on Education
(2007)
8
5
(doi: 10.1109/TE.1965.4321881)
Conformational Stability of Helicobacter pylori Flavodoxin
Journal of Biological Chemistry
(2007)
283
2883
(doi: 10.1074/jbc.m705677200)
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)
Accurate induction energies for small organic molecules: 1. Theory
J Chem Theory Comput
(2007)
4
7
(doi: 10.1021/ct700104t)
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)
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
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: Crystallographic Communications
(2007)
63
O4537
(doi: 10.1107/S1600536807053536)
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)
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)
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)
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)
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems
J Chem Phys
(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
L21801
(doi: 10.1029/2007gl031032)
Mutagenicity of tamoxifen-DNA adducts in human endometrial cells and in silico prediction of p53 mutation hotspots
MUTAGENESIS
(2007)
22
446
