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  • Currently displaying 23901 - 23920 of 30936 publications
Author(s)
Publication title
Journal Name
Publication year
C-H⋯π interactions in the low-temperature crystal structures of α,Ω-unsaturated linear hydrocarbons
AD Bond
Chemical Communications
(2002)
2
Structures of adsorbed water layers on MgO: An ab initio study
RM Lynden-Bell, L Delle Site, A Alavi
Surface Science
(2002)
496
The Superstructure of Lead Tetragonal Tungsten Bronze
SK Haydon, DA Jefferson
Journal of Solid State Chemistry
(2002)
168
Introduction
D Frenkel, B Smit
(2002)
Towards the chemical Semantic Web
P Murray-Rust, HS Rzepa
PROCEEDINGS OF THE 2002 INTERNATIONAL CHEMICAL INFORMATION CONFERENCE
(2002)
Chapter 2 Statistical Mechanics
D Frenkel, B Smit
(2002)
Analysis for BrO in zenith-sky spectra: An intercomparison exercise for analysis improvement
SR Aliwell, M Van Roozendael, PV Johnston, A Richter, T Wagner, DW Arlander, JP Burrows, DJ Fish, RL Jones, KK Tørnkvist, JC Lambert, K Pfeilsticker, I Pundt
Journal of Geophysical Research Atmospheres
(2002)
107
Protein folding using inter-residue contacts
M Vendruscolo
FIRST INTERNATIONAL SYMPOSIUM ON 3D DATA PROCESSING VISUALIZATION AND TRANSMISSION
(2002)
83
What can atomic force microscopy tell us about protein folding?
RB Best, J Clarke
Chemical communications (Cambridge, England)
(2002)
Chapter 3 Monte Carlo Simulations
D Frenkel, B Smit
(2002)
Molecular Dynamics Simulations
D Frenkel, B Smit
(2002)
Chapter 5 Monte Carlo Simulations in Various Ensembles
D Frenkel, B Smit
(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
Computational approaches to predicting sequence-structure relationships in DNA
CA Hunter, MJ Packer
(2002)
Concomitant polymorphs: Structural studies on the trimorphic dithiadiazolyl radical, ClCNSSN
AD Bond, DA Haynes, CM Pask, JM Rawson
Dalton Transactions
(2002)
Molecular Dynamics in Various Ensembles
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
H2-D2 exchange and migration of Ga in H-ZSM5 and H-MOR zeolites
M Garcia-Sanchez, P Magusin, EJM Hensen, RA van Santen
IMPACT OF ZEOLITES AND OTHER POROUS MATERIALS ON THE NEW TECHNOLOGIES AT THE BEGINNING OF THE NEW MILLENNIUM, PTS A AND B
(2002)
142
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
Effective interactions for large-scale simulations of complex fluids
JP Hansen, H Löwen
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605