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  • Currently displaying 17941 - 17960 of 29292 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
J Phys Chem A
(2007)
111
The mechanism of TBD-catalyzed ring-opening polymerization of cyclic esters
L Simón, JM Goodman
Journal of Organic Chemistry
(2007)
72
A planar carboxylate-rich tetraironII complex and its conversion to linear triironII and paddlewheel diironII complexes.
E Reisner, J Telser, SJ Lippard
Inorg Chem
(2007)
46
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
J Biol Chem
(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
J Chem Theory Comput
(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
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
J Chem Phys
(2007)
127
A Sydnone Cycloaddition Route to Pyrazole Boronic Esters
DL Browne, MD Helm, A Plant, JPA Harrity
Angewandte Chemie (International ed. in English)
(2007)
46
(1R,4R,7R,8R,9R)-8-benzyloxy-7-benzyloxymethyl-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
Org Biomol Chem
(2007)
6
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
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
J Med Chem
(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
Proceedings of the National Academy of Sciences of the United States of America
(2007)
104
Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from a initio and classical computer simulations
MG Del Pópolo, J Kohanoff, RM Lynden-Bell, C Pinilla
Accounts of chemical research
(2007)
40
Optimized expanded ensembles for simulations involving molecular insertions and deletions.: I.: Closed systems
FA Escobedo, FJ Martínez-Veracoechea
The 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
The Journal of chemical physics
(2007)
127
A soft effective segment representation of semidilute polymer solutions.
C Pierleoni, B Capone, J-P Hansen
The Journal of Chemical Physics
(2007)
127
Molecular Recognition Controls the Organization of Mixed Self-Organized Bis-Urea-Based Mineralization Templates for CaCO3
BP Pichon, S Cantin, MMJ Smulders, MRJ Vos, N Chebotareva, DC Popescu, O van Asselen, F Perrot, R Sijbesma, NAJM Sommerdijk
Langmuir : the ACS journal of surfaces and colloids
(2007)
23