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  • Currently displaying 18341 - 18360 of 29903 publications
Author(s)
Publication title
Journal Name
Publication year
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
The 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 Edition
(2007)
46
(1R,4R,7R,8R,9R)-8-Benzyloxy-7-benzyloxymethyl-2,5,10-trioxatricyclo[5.2.1.04,8]decan-9-ol
PK Sharma, P Nielsen, AD Bond
Acta Crystallographica Section E: Crystallographic Communications
(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
Proceedings of the National Academy of Sciences
(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
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
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
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
J Chem Phys
(2007)
127
Comparison of simple perturbation-theory estimates for the liquid-solid and the liquid-vapor interfacial free energies of Lennard-Jones systems
C Valeriani, Z-J Wang, D Frenkel
Molecular Simulation
(2007)
33
Comment on 'Long-term atmospheric measurements of C-1-C-5 alkyl nitrates in the Pearl River Delta region of southeast China' by Simpson et al.
AT Archibald, MAH Khan, LA Watson, KC Clemitshaw, SR Utembe, ME Jenkin, DE Shallcross
Atmospheric Environment
(2007)
41
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
A flow process for the multistep synthesis of the alkaloid natural product oxomaritidine: A new paradigm for molecular assembly
IR Baxendale, J Deeley, CM Griffiths-Jones, SV Ley, S Saaby, GK Tranmer
Chemtracts
(2007)
20
Learning the language of bacteria
JT Hodgkinson, M Welch, DR Spring
ACS Chemical Biology
(2007)
2
Mutagenicity of tamoxifen-DNA adducts in human endometrial cells and in silico prediction of p53 mutation hotspots
E Liapis, PD Lewis, KIE McLuckie, PB Farmer, K Brown
MUTAGENESIS
(2007)
22
Does UV irradiation of PAH's synergistically increase their genotoxicity?
AY Omer, GDD Jones, PB Farmer, KIE McLuckie
MUTAGENESIS
(2007)
22
Group 2 (Be-Ba) and group 12 (Zn-Hg)
M Green, DS Wright
Organometallic Chemistry
(2007)
31