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  • Currently displaying 20041 - 20060 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
A global resource for computational chemistry.
P Murray-Rust, HS Rzepa, JJP Stewart, Y Zhang
J Mol Model
(2005)
11
Global minima of (C60)nCa2+, (C60)nF- and (C60)nI- clusters
J Hernández-Rojas, J Bretón, JMG Llorente, DJ Wales
Chemical Physics Letters
(2005)
410
Model car-exhaust catalyst studied by TPD and TP-RAIRS: Surface reactions of NO on clean and O-covered Ir {100}
S Khatua, G Held, DA King
Surface Science
(2005)
586
Water and the Huisgen Cycloaddition Reaction: A Focus on Polar Contributions to the Transition State in the Reactions of Dicyano(phthalazinium)methanide with Substituted Styrenes and Benzylidene Acetones
RN Butler, AG Coyne, WJ Cunningham, EM Moloney, LA Burke
Helvetica Chimica Acta
(2005)
88
Impact of natural variation in bacterial F17G adhesins on crystallization behaviour.
L Buts, A Wellens, I Van Molle, L Wyns, R Loris, M Lahmann, S Oscarson, H De Greve, J Bouckaert
Acta crystallographica. Section D, Biological crystallography
(2005)
61
Influence of copper on the electronic properties of amorphous chalcogenides
SI Simdyankin, M Elstner, TA Niehaus, T Frauenheim, SR Elliott
Physical Review B Condensed Matter and Materials Physics
(2005)
72
Structure and equation of state of interaction site models for disc-shaped lamellar colloids
DC *, J-P Hansen, L HarNau
Molecular Physics
(2005)
103
Effects of nanoconfinement on the morphology and reactivity of organic materials
WTS Huck
Chemical Communications
(2005)
Adsorption of gelatin to a polystyrene/water interface as a function of concentration, pH, and ionic strength
SF Turner, SM Clarke, AR Rennie, PN Thirtle, ZX Li, RK Thomas, S Langridge, J Penfold
Langmuir : the ACS journal of surfaces and colloids
(2005)
21
Extinction of epidemics in lattice models with quenched disorder - art. no. 016111
SN Taraskin, JJ Ludlam, CJ Neugebauer, CA Gilligan
Physical Review E Statistical Nonlinear and Soft Matter Physics
(2005)
72
Communication and re-use of chemical information in bioscience - art. no. 180
P Murray-Rust, JBO Mitchell, HS Rzepa
BMC bioinformatics
(2005)
6
A network of orthogonal ribosome x mRNA pairs.
O Rackham, JW Chin
Nature Chemical Biology
(2005)
1
N,N′-Bis(pyridin-4-ylmethyl)succinamide–terephthalic acid (1/1)
CL Oliver, GO Lloyd, EJC Vries
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
Universal features of localized eigenstates in disordered systems
JJ Ludlam, SN Taraskin, SR Elliott, DA Drabold
Journal of Physics Condensed Matter
(2005)
17
Statistical properties of the critical eigenstates in power-law random banded matrices across the band - art. no. 033105
CJ Paley, SN Taraskin, SR Elliott
Physical Review B Condensed Matter and Materials Physics
(2005)
72
Quantum Scattering Studies of Reactions
SC Althorpe
(2005)
Energy-dependent cancellation of diffraction spots due to surface roughening.
SR Puisto, G Held, DA King
Physical Review Letters
(2005)
95
Interactions of triiodide cluster ion with solvents
FS Zhang, RM Lynden-Bell
The European Physical Journal D
(2005)
34
Enclathration of morpholinium cations by Dianin's compound: salt formation by partial host-to-guest proton transfer.
GO Lloyd, MW Bredenkamp, LJ Barbour
Chem Commun (Camb)
(2005)
Why Copper Is Intrinsically More Selective than Silver in Alkene Epoxidation:  Ethylene Oxidation on Cu(111) versus Ag(111)
D Torres, N Lopez, F Illas, RM Lambert
J Am Chem Soc
(2005)
127