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- Currently displaying 22301 - 22320 of 29245 publications
Time and length scales in ab initio molecular dynamics
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
413
Photo-control of peptide and protein conformation: Development of force field parameters for modified azobenzene conformational switches
BIOPHYSICAL JOURNAL
(2002)
82
485A
Conformational analysis of a photo-controlled peptide
BIOPHYSICAL JOURNAL
(2002)
82
459A
Photo-control of peptides and coiled-coils by a modified azobenzene conformational switch
BIOPHYSICAL JOURNAL
(2002)
82
458A
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
Chemistry of Materials
(2002)
14
{194-205}
(doi: 10.1021/cm010503j)
Surface products of the dissociative adsorption of methane on Pt{110}-(1 x 2)
Surface Science
(2002)
505
49
Energetics of enzyme stability.
Trends in Biotechnology
(2002)
20
1
What can classical simulators learn from ab initio simulations?
Journal of Molecular Liquids
(2002)
98-9
79
Coverage dependence of the dissociative sticking probability of methane on Pt(1 1 0)-(1 × 2)
Surface Science
(2002)
506
243
Structures of adsorbed water layers on MgO: An ab initio study
Surface Science
(2002)
496
l1
Diode Laser Spectrum of the ν1 Fundamental Band of PNO
Journal of Molecular Spectroscopy
(2002)
211
107
(doi: 10.1006/jmsp.2001.8487)
H2−D2 exchange and migration of Ga in H-ZSM5 and H-MOR zeolites
(2002)
142
959
OmpA: A Pore or Not a Pore? Simulation and Modeling Studies
Biophys J
(2002)
83
763
New Directions: Mobile laboratory reveals new issues in urban air quality
Atmospheric Environment
(2002)
36
1247
Ag-Catalysed Epoxidation of Propene and Ethene: An Investigation Using Electrochemical Promotion of the Effects of Alkali, NOX, and Chlorine
Journal of Catalysis
(2002)
207
331
(doi: 10.1006/jcat.2002.3509)
Synthesis and characterisation of super-microporous aluminosilicates prepared via primary amine templating
Studies in Surface Science and Catalysis
(2002)
141
141
The superstructure of lead tetragonal tungsten bronze
Journal of Solid State Chemistry
(2002)
168
306
(doi: 10.1006/jssc.2002.9630)
Diatomics-in-molecules potentials incorporating ab initio data:: Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters
Compu. Phys. Comm.
(2002)
145
141-155