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  • Currently displaying 18281 - 18300 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
State-Resolved Reactivity of CH4(2ν3) on Pt(111) and Ni(111):  Effects of Barrier Height and Transition State Location
R Bisson, M Sacchi, TT Dang, B Yoder, P Maroni, RD Beck
The Journal of Physical Chemistry A
(2007)
111
Watching nanoparticles grow: The mechanism and kinetics for the formation of TiO2-Supported Platinum Nanoparticles
PJ Chupas, KW Chapman, G Jennings, PL Lee, CP Grey
Journal of the American Chemical Society
(2007)
129
A Planar Carboxylate-Rich Tetrairon(II) Complex and Its Conversion to Linear Triiron(II) and Paddlewheel Diiron(II) Complexes
E Reisner, J Telser, SJ Lippard
Inorganic Chemistry
(2007)
46
The Mechanism of TBD-Catalyzed Ring-Opening Polymerization of Cyclic Esters
L Simón, JM Goodman
The Journal of Organic Chemistry
(2007)
72
Asset Pricing with Limited Risk Sharing and Heterogeneous Agents
F Gomes, A Michaelides
Review of Financial Studies
(2007)
21
Conformational stability of Helicobacter pylori flavodoxin - Fit to function at pH 5
N Cremades, M Bueno, JL Neira, A Velázquez-Campoy, J Sancho
Journal of Biological Chemistry
(2007)
283
Accurate Induction Energies for Small Organic Molecules. 2. Development and Testing of Distributed Polarizability Models against SAPT(DFT) Energies
AJ Misquitta, AJ Stone, SL Price
Journal of chemical theory and computation
(2007)
4
Accurate induction energies for small organic molecules: 1. Theory
AJ Misquitta, AJ Stone
Journal of chemical theory and computation
(2007)
4
A classical point charge model study of system size dependence of oxidation and reorganization free energies in aqueous solution
R Ayala, M Sprik
The journal of physical chemistry. B
(2007)
112
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.
B Santra, A Michaelides, M Scheffler
Journal of Chemical Physics
(2007)
127
A Sydnone Cycloaddition Route to Pyrazole Boronic Esters
DL Browne, MD Helm, A Plant, JPA Harrity
Angew Chem Int Ed Engl
(2007)
46
(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
PK Sharma, P Nielsen, AD Bond
Acta Crystallographica Section E Structure Reports Online
(2007)
63
Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol.
MS Christensen, AD Bond, P Nielsen
Organic & biomolecular chemistry
(2007)
6
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
PD Edwards, JS Albert, M Sylvester, D Aharony, D Andisik, O Callaghan, JB Campbell, RA Carr, G Chessari, M Congreve, M Frederickson, RHA Folmer, S Geschwindner, G Koether, K Kolmodin, J Krumrine, RC Mauger, CW Murray, L-L Olsson, S Patel, N Spear, G Tian
Journal of medicinal chemistry
(2007)
50
Single-molecule level analysis of the subunit composition of the T cell receptor on live T cells
JR James, SS White, RW Clarke, AM Johansen, PD Dunne, DL Sleep, WJ Fitzgerald, SJ Davis, D Klenerman
Proc Natl Acad Sci U S A
(2007)
104
Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations
MG Del Pópolo, J Kohanoff, RM Lynden-Bell, C Pinilla
Acc Chem Res
(2007)
40
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems.
FA Escobedo, FJ Martínez-Veracoechea
Journal of Chemical Physics
(2007)
127
Atmospheric transformation of enols: A potential secondary source of carboxylic acids in the urban troposphere
AT Archibald, MR McGillen, CA Taatjes, CJ Percival, DE Shallcross
Geophysical Research Letters
(2007)
34
Optimized effective potentials from electron densities in finite basis sets.
FA Bulat, T Heaton-Burgess, AJ Cohen, W Yang
J Chem Phys
(2007)
127
Molecular recognition controls the organization of mixed self-organized bis-urea-based mineralization templates for CaCO(3).
BP Pichon, S Cantin, MMJ Smulders, MRJ Vos, N Chebotareva, DC Popescu, O van Asselen, F Perrot, R Sijbesma, NAJM Sommerdijk
Langmuir
(2007)
23