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  • Currently displaying 23221 - 23240 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide
BC Dian, A Longarte, S Mercier, DA Evans, DJ Wales, TS Zwier
J. Chem. Phys.
(2002)
117
Computational approaches to predicting sequence-structure relationships in DNA
CA Hunter, MJ Packer
(2002)
A new Chemical Lagrangian Model of the Stratosphere (CLaMS) 2. Formulation of chemistry scheme and initialization
DS McKenna, J-U Grooß, G Günther, P Konopka, R Müller, G Carver, Y Sasano
Journal of Geophysical Research D: Atmospheres
(2002)
107
Where are the women presidents? - Reply
S Ley
CHEMISTRY IN BRITAIN
(2002)
38
Energy landscapes: An overview
DJ Wales
Materials Research Society Symposium Proceedings
(2002)
700
Design of luminescent polymers for leds
AB Holmes, AD Bond, JE Davies, C Fischmeister, J Frey, U Hennecke, J Li, Y Ma, RE Martin, ID Rees, K Robinson, T Sano, F Cacialli, SF Lim, RH Friend
Materials Research Society Symposium Proceedings
(2002)
708
Holometer-measurement apparatus for estimating the dynamic range of chalcogenide glasses as holographic recording media
JM González-Leal, P Krecmer, J Prokop, SR Elliott
XIIITH INTERNATIONAL SYMPOSIUM ON NON-OXIDE GLASSES AND NEW OPTICAL GLASSES PTS 1 AND 2
(2002)
Time and length scales in ab initio molecular dynamics
U Röthlisberger, M Sprik, J Hutter
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
Conformational analysis of a photo-controlled peptide
DC Burns, DG Flint, J Kumita, J Zhang, OS Smart, A Woolley
BIOPHYSICAL JOURNAL
(2002)
82
H2−D2 exchange and migration of Ga in H-ZSM5 and H-MOR zeolites
M Garcia-Sanchez, P Magusin, EJM Hensen, RA van Santen
(2002)
142
Chapter 8 The Gibbs Ensemble
D Frenkel, B Smit
(2002)
Synthesis and characterisation of super-microporous aluminosilicates prepared via primary amine templating
E Bastardo-Gonzalez, R Mokaya, W Jones
Studies in Surface Science and Catalysis
(2002)
141
Diatomics-in-molecules potentials incorporating ab initio data: Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters
FY Naumkin, DJ Wales
Computer Physics Communications
(2002)
145
Chapter 7 Free Energy Calculations
D Frenkel, B Smit
(2002)
Chapter 6 Molecular Dynamics in Various Ensembles
D Frenkel, B Smit
(2002)
Monte Carlo Simulations in Various Ensembles
D Frenkel, B Smit
(2002)
Self-assembly of porphyrin arrays
L Baldini, CA Hunterf
Advances in Inorganic Chemistry
(2002)
53
Molecular Dynamics Simulations
D Frenkel, B Smit
(2002)
Chapter 3 Monte Carlo Simulations
D Frenkel, B Smit
(2002)
Chapter 2 Statistical Mechanics
D Frenkel, B Smit
(2002)