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  • Currently displaying 20721 - 20740 of 30729 publications
Author(s)
Publication title
Journal Name
Publication year
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
Kinetic analysis of discrete path sampling stationary point databases.
SA Trygubenko, DJ Wales
Mol. Phys.
(2006)
104
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
Potential Energy and Free Energy Landscapes.
DJ Wales, TV Bogdan
J. Phys. Chem. B
(2006)
110
Correlation effects and super-Arrhenius diffusion in binary Lennard- Jones mixtures (12 pages).
VK de Souza, DJ Wales
Phys. Rev. Lett.
(2006)
96
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
Diastereoselective aldol reactions with butane-2,3-diacetal protected glyceraldehyde derivatives (vol 4, pg 1471, 2006)
KR Knudsen, AF Stepan, P Michel, SV Ley
ORGANIC & BIOMOLECULAR CHEMISTRY
(2006)
4
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
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)
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
Organic solvent microdroplets in surface-modified PDMS microchannels
DJ Holt, RJ Payne, F Hollfelder, WTS Huck, C Abell
Micro Total Analysis Systems Proceedings of Microtas 2006 Conference 10th International Conference on Miniaturized Systems for Chemistry and Life Sciences
(2006)
Theory of simple liquids
JP Hansen, IR McDonald
(2006)
Exploring the catalytic activity of a noble metal: The Ag catalyzed ethylene epoxidation reaction
M-L BOCQUET, A MICHAELIDES
(2006)
Dynamic Complexity of Chaotic Transitions in High-Dimensional Classical Dynamics: Leu-Enkephalin Folding
D Nerukh, G Karvounis, RC Glen
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216 LNBI
Solvent Effects and Conformational Stability of a Tripeptide.
MV Fedorov, S Schumm, JM Goodman
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216
Building Structure-Property Predictive Models Using Data Assimilation
HY Mussa, DJ Lary, RC Glen
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216 LNBI
Membrane Protein Simulations: Modelling a Complex Environment
PJ Bond, J Cuthbertson, SS Deol, LR Forrest, J Johnston, G Patargias, MSP Sansom
Lecture Notes in Computational Science and Engineering
(2006)
49
Overcoming Energetic and Time Scale Barriers Using the Potential Energy Surface
DJ Wales, JM Carr, T James
Lecture Notes in Computational Science and Engineering
(2006)
49
Path resummations and the fermion sign problem
A Alavi, AJW Thom
COMPUTER SIMULATIONS IN CONDENSED MATTER SYSTEMS: FROM MATERIALS TO CHEMICAL BIOLOGY, VOL 1
(2006)
703
Waste-Recycling Monte Carlo
D Frenkel
Lecture Notes in Physics
(2006)
703