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  • Currently displaying 20241 - 20260 of 29867 publications
Author(s)
Publication title
Journal Name
Publication year
Novel Monte Carlo scheme for systems with short-ranged interactions.
GC Boulougouris, D Frenkel
The Journal of chemical physics
(2005)
122
Scanning Tunneling Microscopy Investigation of the Structure of Methanethiolate on Ag(111)
M Yu, SM Driver, DP Woodruff
Langmuir : the ACS journal of surfaces and colloids
(2005)
21
Diastereoselective amplification of an induced-fit receptor from a dynamic combinatorial library.
PT Corbett, LH Tong, JKM Sanders, S Otto
Journal of the American Chemical Society
(2005)
127
The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound
CMC Lobley, A Ciulli, HM Whitney, G Williams, AG Smith, C Abell, TL Blundell
Biochemistry
(2005)
44
Cooperative folding in a multi-domain protein.
S Batey, LG Randles, A Steward, J Clarke
J Mol Biol
(2005)
349
(μ2-Bicarbonato-k2O,O′)[μ2-1, 4,8,11,14,18,23,27octaaza-6,16,25(1,3)-tribenzenabicyclo[9.9.9]nonacosaphane] dicopper(II) triperchlorate acetonitrile solvate
S Derossi, AD Bond, CJ McKenzie, J Nelson
Acta Crystallographica Section E Structure Reports Online
(2005)
61
Lattice-Boltzmmann simulations of the sedimentation of charged disks
F Capuani, I Pagonabarraga, D Frenkel
(2005)
State-Resolved Gas-Surface Reactivity of Methane in the Symmetric C-H Stretch Vibration on Ni(100)
P Maroni, DC Papageorgopoulos, M Sacchi, TT Dang, RD Beck, TR Rizzo
Physical Review Letters
(2005)
94
Modeling flexible amphiphilic bilayers: a solvent-free off-lattice Monte Carlo study.
Z-J Wang, D Frenkel
J Chem Phys
(2005)
122
The use of a continuous flow-reactor employing a mixed hydrogen-liquid flow stream for the efficient reduction of imines to amines
S Saaby, KR Knudsen, M Ladlow, SV Ley
Chemical communications (Cambridge, England)
(2005)
Electric-field-controlled water and ion permeation of a hydrophobic nanopore.
J Dzubiella, J-P Hansen
J Chem Phys
(2005)
122
Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes
Y Tateyama, J Blumberger, M Sprik, I Tavernelli
Journal of Chemical Physics
(2005)
122
NO restructuring of surface Ir and bond formation to preadsorbed O on Ir{1 0 0} at 95 K
S Khatua, ZP Liu, DA King
Surface Science
(2005)
584
The remarkable mechanical strength of polycystin-1 supports a direct role in mechanotransduction.
JR Forman, S Qamar, E Paci, RN Sandford, J Clarke
Journal of Molecular Biology
(2005)
349
Kanamycin reveals the role played by glutamate receptors in shaping plant resource allocation
C Dubos, J Willment, D Huggins, GH Grant, MM Campbell
The Plant Journal
(2005)
43
3,3′-(quinoxaline-2,3-diyldimethylene)-bis(pentane-2,4-dione)
L Dobrzańska, GO Lloyd
Acta Crystallographica Section E Structure Reports Online
(2005)
61
Finding pathways between distant local minima (7 pages)
JM Carr, SA Trygubenko, DJ Wales
The Journal of Chemical Physics
(2005)
122
Synthesis and structure of the calixarene-like phosph(III)azane macrocycle [{P(μ-NtBu)}2{1,5-(NH)2C10H 6}]3
F Dodds, F García, RA Kowenicki, M McPartlin, A Steiner, DS Wright
Chemical communications (Cambridge, England)
(2005)
First-principles study of superabundant vacancy formation in metal hydrides.
C Zhang, A Alavi
J Am Chem Soc
(2005)
127
Isomeric [RuCl2(dmso)2(indazole)2] complexes: Ruthenium(II)-mediated coupling reaction of acetonitrile with 1H-indazole
E Reisner, VB Arion, A Rufińska, I Chiorescu, WF Schmid, BK Keppler
Dalton Trans
(2005)