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  • Currently displaying 20841 - 20860 of 30846 publications
Author(s)
Publication title
Journal Name
Publication year
Redox free energies from vertical energy gaps: Ab initio molecular dynamics implementation
J Blumberger, M Sprik
Lecture Notes in Physics
(2006)
704
Developing lightweight application execution mechanisms in grids
L He, M Dove, M Hayes, P Murray-Rust, M Calleja, X Yang, V Mman
Proceedings of the UK e-Science All Hands Meeting 2006
(2006)
Waste-recycling Monte Carlo
D Frenkel
Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology, Vol 1
(2006)
703
The Use of Polymer Supported Reagents and Scavengers in the Synthesis of Natural Products in Combinatorial Synthesis of Natural Product-Based Libraries
RM Myers, IR Baxendale, SV Ley
(2006)
Ch. 6
Synthesis, characterisation and anion exchange properties of copper, magnesium, zinc and nickel hydroxy nitrates
T Biswick, W Jones, A Pacuła, E Serwicka
Journal of Solid State Chemistry
(2006)
179
Methane and carbon dioxide emissions from simulated anaerobic swine manure treatment lagoons under summer conditions
DW Hamilton, IN Kourtchev, PM Ndegwa, HJ Cumba, F Gioelli
T ASAE
(2006)
49
Synthesis of monolithic silica materials with meso macro-porous double-pore structure
H Yang, J Li, Q Chen, L Song, J Lu
Kuei Suan Jen Hsueh Pao Journal of the Chinese Ceramic Society
(2006)
34
On the application of computer simulation techniques to anionic and cationic clays: A materials chemistry perspective
HC Greenwell, W Jones, PV Coveney, S Stackhouse
J. Mater. Chem.
(2006)
16
High-throughput identification of chemistry in life science texts
P Corbett, P Murray-Rust
COMPUTATIONAL LIFE SCIENCES II, PROCEEDINGS
(2006)
4216
Energy landscapes: Calculating pathways and rates
DJ Wales
International Reviews in Physical Chemistry
(2006)
25
Multi-model ensemble simulations of tropospheric NO 2 compared with GOME retrievals for the year 2000
TPC Van Noije, HJ Eskes, FJ Dentener, DS Stevenson, K Ellingsen, MG Schultz, O Wild, M Amann, CS Atherton, DJ Bergmann, I Bey, KF Boersma, T Butler, J Cofala, J Drevet, AM Fiore, M Gauss, DA Hauglustaine, LW Horowitz, ISA Isaksen, MC Krol, J-F Lamarque, MG Lawrence, RV Martin, V Montanaro, J-F Müller, G Pitari, MJ Prather, JA Pyle, A Richter, JM Rodriguez, NH Savage, SE Strahan, K Sudo, S Szopa, M Van Roozendael
Atmospheric Chemistry and Physics Discussions
(2006)
6
Thermodynamics of water octamer in a uniform electric field (5 pages).
J Hernández-Rojas, BS Gonzalez, T James, DJ Wales
J. Chem. Phys.
(2006)
125
EXPLORING THE CATALYTIC ACTIVITY OF A NOBLE METAL: THE Ag CATALYZED ETHYLENE EPOXIDATION REACTION
M-L BOCQUET, A MICHAELIDES
(2006)
An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of α-AlF 3 nanoparticles
S Chaudhuri, P Chupas, BJ Morgan, PA Madden, CP Grey
Phys. Chem. Chem. Phys.
(2006)
8
The biosynthesis and regulation of bacterial prodiginines
NR Williamson, PC Fineran, FJ Leeper, GPC Salmond
Nature Reviews Microbiology
(2006)
4
A pentanuclear oxovanadium(V) phosphate complex with phenanthroline
L Mafra, FAA Paz, F-N Shi, C Fernandez, T Trindade, J Klinowski, J Rocha
Inorganic Chemistry Communications
(2006)
9
Gel-phase HR-MAS H-1 NMR spectroscopy as a probe for solid-tethered diimide rotaxanes and catenanes
KD Johnstone, N Bampos, JKM Sanders, MJ Gunter
New Journal of Chemistry
(2006)
30
Application and uses of CML within the eMinerals project
TOH White, P Murray-Rust, PA Couch, RP Tyer, RP Bruin, IT Todorov, DJ Wilson, MT Dove, KF Austen, SC Parker
Proceedings of the UK e-Science All Hands Meeting 2006
(2006)
p-Nitrobenzyloxycarbonyl (pNZ) as an alternative to Fmoc for the protection of amines in solid-phase peptide synthesis
A Isidro-Llobet, PE López, J Guasch-Camell, M álvarez, F Albericio
Understanding Biology Using Peptides
(2006)
Functionalised fibrils for bio-nanotechnology
SL Gras, AM Squires, CM Dobson, CE MacPhee
2006 INTERNATIONAL CONFERENCE ON NANOSCIENCE AND NANOTECHNOLOGY, VOLS 1 AND 2
(2006)