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  • Currently displaying 18301 - 18320 of 29659 publications
Author(s)
Publication title
Journal Name
Publication year
State-resolved reactivity of CH4(2nu3) 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
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 Tetrairon(II) Complex and Its Conversion to Linear Triiron(II) and Paddlewheel Diiron(II) 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
The Closed-Form Expansion of the Inverse Laplace Transform
AD Bond
IEEE Transactions on Education
(2007)
8
Conformational stability of Helicobacter pylori flavodoxin -: Fit to function at pH 5
N Cremades, M Bueno, JL Neira, A Velázquez-Campoy, J Sancho
The Journal of biological chemistry
(2007)
283
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
J Phys Chem B
(2007)
112
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
J Chem Theory Comput
(2007)
4
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
Angewandte Chemie (International ed. in English)
(2007)
46
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
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 and Biomolecular Chemistry
(2007)
6
(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
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 ab 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
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C 4 N 4 -heterocycle
MP Coles, SF Lee, SH Oakley, G Estiu, PB Hitchcock
Org Biomol Chem
(2007)
5
Investigating the specific interactions between carbonic anhydrase and a sulfonamide inhibitor by single-molecule force spectroscopy
SG Kamper, L Porter-Peden, R Blankespoor, K Sinniah, D Zhou, C Abell, T Rayment
Langmuir : the ACS journal of surfaces and colloids
(2007)
23