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- Currently displaying 20121 - 20140 of 29680 publications
Ab initio molecular dynamics simulation of redox reactions in solution
Computer Physics Communications
(2005)
169
256
(doi: 10.1016/j.cpc.2005.03.059)
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles
Computer Physics Communications
(2005)
169
289
(doi: 10.1016/j.cpc.2005.03.065)
The symmetry and structure of crystalline surfaces
Surface Science
(2005)
585
L159
(doi: 10.1016/j.susc.2005.04.006)
The recent turnaround in stratospheric ozone over northern middle latitudes: A dynamical modeling perspective
Geophysical Research Letters
(2005)
32
1
(doi: 10.1029/2005gl022476)
Second-sphere coordination in anion binding: sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate.
Acta Crystallographica Section C: Structural Chemistry
(2005)
61
M356
(doi: 10.1107/S0108270105018500)
Diastereoselective amplification of an induced-fit receptor from a dynamic combinatorial library.
J Am Chem Soc
(2005)
127
8902
(doi: 10.1021/ja050790i)
Novel Monte Carlo scheme for systems with short-ranged interactions
J Chem Phys
(2005)
122
244106
(doi: 10.1063/1.1931652)
Scanning tunneling microscopy investigation of the structure of methanethiolate on Ag(111)
Langmuir : the ACS journal of surfaces and colloids
(2005)
21
7285
(doi: 10.1021/la0503810)
The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound
Biochemistry
(2005)
44
8930
(doi: 10.1021/bi0502036)
Cooperative Folding in a Multi-domain Protein
Journal of molecular biology
(2005)
349
1045
(doi: 10.1016/j.jmb.2005.04.028)
μ2-bicarbonato-κ2 O,O′)[μ2-1,4,8,11,14,18,23,27-octaaza-6,16,25(1,3)- tribenzenabicyclo[9.9.9]nona-cosaphane]dicopper(II) triperchlorate acetonitrile solvate
Acta Crystallographica Section E Structure Reports Online
(2005)
61
m1379
(doi: 10.1107/S1600536805018581)
State-resolved gas-surface reactivity of methane in the symmetric C-H stretch vibration on Ni(100)
Physical Review Letters
(2005)
94
246104
Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study
Journal of Chemical Physics
(2005)
122
234711
(doi: 10.1063/1.1927509)
The use of a continuous flow-reactor employing a mixed hydrogen–liquid flow stream for the efficient reduction of imines to amines
Chem Commun (Camb)
(2005)
2909
(doi: 10.1039/b504854k)
Electric-field-controlled water and ion permeation of a hydrophobic nanopore
The Journal of Chemical Physics
(2005)
122
234706
(doi: 10.1063/1.1927514)
Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes
The Journal of chemical physics
(2005)
122
234505
(doi: 10.1063/1.1938192)
NO restructuring of surface Ir and bond formation to preadsorbed O on Ir{1 0 0} at 95 K
Surface Science
(2005)
584
214
(doi: 10.1016/j.susc.2005.04.002)
The remarkable mechanical strength of polycystin-1 supports a direct role in mechanotransduction
Journal of molecular biology
(2005)
349
861
(doi: 10.1016/j.jmb.2005.04.008)
3,3′-(Quinoxaline-2,3-diyldimethylene)bis(pentane-2,4-dione)
Acta Crystallographica Section E Structure Reports Online
(2005)
61
o2114
(doi: 10.1107/S1600536805018131)
Kanamycin reveals the role played by glutamate receptors in shaping plant resource allocation.
The Plant Journal
(2005)
43
348
