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  • Currently displaying 24041 - 24060 of 31095 publications
Author(s)
Publication title
Journal Name
Publication year
Effective interactions for large-scale simulations of complex fluids
JP Hansen, H Löwen
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
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
Energy landscapes: An overview
DJ Wales
Materials Research Society Symposium Proceedings
(2002)
700
Concomitant polymorphs: Structural studies on the trimorphic dithiadiazolyl radical, ClCNSSN
AD Bond, DA Haynes, CM Pask, JM Rawson
Dalton Transactions
(2002)
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
Free Energy of Chain Molecules
D Frenkel, B Smit
(2002)
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
Free Energies of Solids
D Frenkel, B Smit
(2002)
Other Methods to Study Coexistence
D Frenkel, B Smit
(2002)
The Gibbs Ensemble
D Frenkel, B Smit
(2002)
Chapter 7 Free Energy Calculations
D Frenkel, B Smit
(2002)
Chapter 6 Molecular Dynamics in Various Ensembles
D Frenkel, B Smit
(2002)
Chapter 5 Monte Carlo Simulations in Various Ensembles
D Frenkel, B Smit
(2002)
Chapter 4 Molecular Dynamics Simulations
D Frenkel, B Smit
(2002)
Velocity auto-correlation functions in three-dimensional vibro-fluidized granular beds
RD Wildman, J-P Hansen, DJ Parker
Physics of Fluids
(2002)
14
Structural and thermodynamic properties of spin-polarized fluid hydrogen
H Xu, J-P Hansen
Physics of Plasmas
(2002)
9
Monte Carlo Simulations
D Frenkel, B Smit
(2002)
Statistical Mechanics
D Frenkel, B Smit
(2002)
A study of the known and hypothetical crystal structures of pyridine: why are there four molecules in the asymmetric unit cell?
AT Anghel, GM Day, SL Price
CrystEngComm
(2002)
4