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  • Currently displaying 23901 - 23920 of 30961 publications
Author(s)
Publication title
Journal Name
Publication year
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
Controlling crystal architecture in molecular solids: the supramolecular approach
W Jones, AD Bond
(2002)
Mesoscale self-assembly: the assembly of micron-and millimeter-sized objects using capillary forces
WTS Huck, N Bowden, J Tien, GM Whitesides
(2002)
The use of XANES and ELNES for the characterisation of stabilised zirconia
DW McComb, S Ostanin, D Vlachos, AJ Craven, MW Finnis, AT Paxton, A Alavi
Materials Research Society Symposium Proceedings
(2002)
699
Photo-control of peptide and protein conformation: Development of force field parameters for modified azobenzene conformational switches
DG Flint, J Kumita, A Woolley, OS Smart
BIOPHYSICAL JOURNAL
(2002)
82
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
The optical gas-sensing properties of an asymmetrically substituted porphyrin
JM Pedrosa, CM Dooling, TH Richardson, RK Hyde, CA Hunter, MT Martín, L Camacho
Journal of Materials Chemistry
(2002)
12
The preparation of chromium, nickel and chromium-nickel alloy nanoparticles on supports
RD Tilley, DA Jefferson
Journal of Materials Chemistry
(2002)
12
Coverage dependence of the dissociative sticking probability of methane on Pt(1 1 0)-(1 × 2)
DTP Watson, J van Dijk, JJW Harris, DA King
Surface Science
(2002)
506
C-H⋯π interactions in the low-temperature crystal structures of α,Ω-unsaturated linear hydrocarbons
AD Bond
Chemical Communications
(2002)
2
Chapter 4 Molecular Dynamics Simulations
D Frenkel, B Smit
(2002)
Chapter 3 Monte Carlo Simulations
D Frenkel, B Smit
(2002)
Statistical Mechanics
D Frenkel, B Smit
(2002)
Introduction
D Frenkel, B Smit
(2002)
Designing neutral coordination networks with the aid of hydrogen bond mimicry using silver( i ) carboxylates
L Brammer, MD Burgard, MD Eddleston, CS Rodger, NP Rath, H Adams
Crystengcomm
(2002)
4
Nuclear magnetic resonance studies of lithium-ion battery materials
CP Grey, SG Greenbaum
MRS Bulletin
(2002)
27
New look and new outlook
WA Hendrickson, C-I Brändén, AR Fersht
Structure
(2002)
10
Effective interactions for large-scale simulations of complex fluids
JP Hansen, H Löwen
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
Oxygen scavenging by lithium zincates:: the synthesis, structural characterisation and derivatisation of [Ph(2-C5H4N)N]2ZnRLi•nthf (R = But, Bun; n = 1, 2)
SR Boss, R Haigh, DJ Linton, AEH Wheatley
J. Chem. Soc., Dalton Trans.
(2002)
Computational approaches to predicting sequence-structure relationships in DNA
CA Hunter, MJ Packer
(2002)