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  • Currently displaying 22301 - 22320 of 29245 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
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
Conformational analysis of a photo-controlled peptide
DC Burns, DG Flint, J Kumita, J Zhang, OS Smart, A Woolley
BIOPHYSICAL JOURNAL
(2002)
82
Photo-control of peptides and coiled-coils by a modified azobenzene conformational switch
J Kumita, A Woolley, DG Flint, OS Smart
BIOPHYSICAL JOURNAL
(2002)
82
Cation Ordering and Electrochemical Properties of the Cathode Materials LiZn x Mn2- x O4, 0 < x ≤ 0.5: A 6Li Magic-Angle Spinning NMR Spectroscopy and Diffraction Study
YJ Lee, S-H Park, C Eng, JB Parise, CP Grey
Chemistry of Materials
(2002)
14
Surface products of the dissociative adsorption of methane on Pt{110}-(1 x 2)
DTP Watson, S Titmuss, DA King
Surface Science
(2002)
505
New look and new outlook
WA Hendrickson, C-I Brändén, AR Fersht
Structure
(2002)
10
Energetics of enzyme stability.
M Vendruscolo
Trends in Biotechnology
(2002)
20
What can classical simulators learn from ab initio simulations?
L Delle Site, RM Lyndeb-Bell, A Alavi
Journal of Molecular Liquids
(2002)
98-9
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
Structures of adsorbed water layers on MgO: An ab initio study
RM Lynden-Bell, L Delle Site, A Alavi
Surface Science
(2002)
496
Diode Laser Spectrum of the ν1 Fundamental Band of PNO
Y Liu, PA Hamilton, PB Davies
Journal of Molecular Spectroscopy
(2002)
211
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
OmpA: A Pore or Not a Pore? Simulation and Modeling Studies
PJ Bond, JD Faraldo-Gómez, MSP Sansom
Biophys J
(2002)
83
New Directions: Mobile laboratory reveals new issues in urban air quality
PW Seakins, DL Lansley, A Hodgson, N Huntley, F Pope
Atmospheric Environment
(2002)
36
Ag-Catalysed Epoxidation of Propene and Ethene: An Investigation Using Electrochemical Promotion of the Effects of Alkali, NOX, and Chlorine
A Palermo, A Husain, MS Tikhov, RM Lambert
Journal of Catalysis
(2002)
207
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
Preface
SV Ley
(2002)
27
The superstructure of lead tetragonal tungsten bronze
SK Haydon, DA Jefferson
Journal of Solid State Chemistry
(2002)
168
Diatomics-in-molecules potentials incorporating ab initio data:: Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters
FY Naumkin, DJ Wales
Compu. Phys. Comm.
(2002)
145