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- Currently displaying 19941 - 19960 of 29898 publications
On the Correlation between Bond-Length Change and Vibrational Frequency Shift in Hydrogen-Bonded Complexes: A Computational Study of Y···HCl Dimers (Y = N2, CO, BF)
Journal of the American Chemical Society
(2005)
127
15515
(doi: 10.1021/ja0543651)
[HydrogenN-(phosphonomethyl)iminodiacetato](1,10-phenanthroline)copper(II) trihydrate: a low-temperature redetermination
Acta Crystallographica Section E Structure Reports Online
(2005)
61
M2247
(doi: 10.1107/s1600536805031806)
Variations in antigen-antibody association kinetics as a function of pH and salt concentration: a QSAR and molecular modeling study.
Biochemistry
(2005)
44
14409
(doi: 10.1021/bi050986v)
Evolution or Revolution: The Challenge to the Modern Medicinal Chemist
(2005)
1
Comparison and visualisation of high-resolution transport modelling with aircraft measurements
Atmospheric Science Letters
(2005)
6
164
(doi: 10.1002/asl.111)
Oxynitrides as Electrode Materials for Lithium-Ion Batteries
Journal of The Electrochemical Society
(2005)
152
{A2246-A2255}
(doi: 10.1149/1.2048267)
Investigating sorption on iron-oxyhydroxide soil minerals by solid-state NMR spectroscopy: a 6Li MAS NMR study of adsorption and absorption on goethite.
Journal of Physical Chemistry B
(2005)
109
18310
(doi: 10.1021/jp051433x)
Synthesis and Characterization of Stereoregular Ethylene-Vinyl Alcohol Copolymers Made by Ring-Opening Metathesis Polymerization
Macromolecules
(2005)
38
9009
(doi: 10.1021/ma050686l)
Analytic energy gradients of the optimized effective potential method - art. no. 134111
The Journal of chemical physics
(2005)
123
134111
(doi: 10.1063/1.1989310)
Polymer crystallization driven by anisotropic interactions
Advances in Polymer Science
(2005)
191
1
(doi: 10.1007/12_011)
Selective Functionalization of Arenes through the Reaction of Aryne-Zirconocene Complexes and Enol Ethers
Synlett
(2005)
2513
(doi: 10.1055/s-2005-872699)
Total synthesis of two novel subpicomolar sarco/endoplasmatic reticulum Ca2+-ATPase inhibitors designed by an analysis of the binding site of thapsigargin
Journal of Medicinal Chemistry
(2005)
48
7005
(doi: 10.1021/jm058036v)
Diagnosing broken ergodicity using an energy fluctuation metric
J. Chem. Phys.
(2005)
123
134504
(doi: 10.1063/1.2035080)
Membrane protein structure quality in molecular dynamics simulation.
Journal of molecular graphics & modelling
(2005)
24
157
(doi: 10.1016/j.jmgm.2005.05.006)
Effect of A-site cation radius on ordering of BX6 octahedra in (K,Na)MgF3 perovskite
American Mineralogist
(2005)
90
{1522-1533}
(doi: 10.2138/am.2005.1693)
Structure-activity relationships of Erwinia carotovora quorum sensing signaling molecules.
Bioorganic and Medicinal Chemistry Letters
(2005)
15
4235
(doi: 10.1016/j.bmcl.2005.06.066)
Synthesis of Alkaloid Natural Products Using Solid-Supported Reagents and Scavengers
Current Organic Chemistry
(2005)
9
1521
(doi: 10.2174/138527205774370513)
Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins
Biochem Soc Trans
(2005)
33
916
(doi: 10.1042/BST20050916)
Simulation studies of the interactions between membrane proteins and detergents
Biochemical Society transactions
(2005)
33
910
(doi: 10.1042/BST0330910)
Direct Quantification of Analyte Concentration by Resonant Acoustic Profiling
Clinical chemistry
(2005)
51
1962
(doi: 10.1373/clinchem.2005.053249)