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  • Currently displaying 19881 - 19900 of 29869 publications
Author(s)
Publication title
Journal Name
Publication year
Correlation effects and super-Arrhenius diffusion in binary Lennard- Jones mixtures (12 pages).
VK de Souza, DJ Wales
Phys. Rev. Lett.
(2006)
96
Potential Energy and Free Energy Landscapes.
DJ Wales, TV Bogdan
J. Phys. Chem. B
(2006)
110
Global Potential Energy Minima of C 6 0(H 2O) n Clusters.
J Hernández-Rojas, J Breton, JMG Llorente, DJ Wales
J. Phys. Chem. B
(2006)
110
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)
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
Kinetic analysis of discrete path sampling stationary point databases.
SA Trygubenko, DJ Wales
Mol. Phys.
(2006)
104
Theory of C 2H x Species on Pt110(1 x 2): Structure, Stability, and Thermal Chemistry.
AT Anghel, SJ Jenkins, DJ Wales, DA King
J. Phys. Chem. B
(2006)
110
Novel Hsp90 inhibitors exhibiting in vivo xenograft activity discovered using fragment-based drug discovery & structure based drug design.
JF Lyons, G Chessari, M Congreve, L Fazal, M Frederickson, B Graham, J Lewis, CW Murray, S Patel, AJ Woodhead
CANCER RESEARCH
(2006)
66
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)
Photocatalytic degradation of water-soluble organic pollutants on TIO2 modified with gold nanoparticles
A Orlov, MS Chan, DA Jefferson, D Zhou, RJ Lynch, RM Lambert
Environmental technology
(2006)
27
High-throughput identification of chemistry in life science texts
P Corbett, P Murray-Rust
COMPUTATIONAL LIFE SCIENCES II, PROCEEDINGS
(2006)
4216
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics): Preface
MR Berthold, R Glen
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216 LNBI
Theory of simple liquids
JP Hansen, IR McDonald
(2006)
Anatomy of a grid-enabled molecular simulation study: the compressibility of amorphous silica
AM Walker, MT Dove, LA Sullivan, K Trachenko, RP Bruin, TO White, P Murray-RuSt, RP Tyer, PA Couch, IT Todorov, W Smith, KK van Dam
Proceedings of the UK e-Science All Hands Meeting 2006
(2006)
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
Polymer-Supported Reagents and Scavengers in Synthesis in Comprehensive Medicinal Chemistry II
RM Myers, SV Ley, IR Baxendale
(2006)
3
Single scan TROSY and E.COSY suite of experiments for the measurement of residual dipolar couplings in proteins
T Eliseo, M Gallo, R Melis, M Paci, R Bazzo, DO Cicero
Journal of Spectroscopy
(2006)
20
Energy landscapes: Calculating pathways and rates
DJ Wales
International Reviews in Physical Chemistry
(2006)
25
The temperature-dependence of rapid low temperature reactions: experiment, understanding and prediction
IWM Smith, AM Sage, NM Donahue, E Herbst, D Quan
Faraday discussions
(2006)
133
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