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  • Currently displaying 19841 - 19860 of 29670 publications
Author(s)
Publication title
Journal Name
Publication year
Molybdenum carbonyl complexes with pyridylimino acidato ligands
R García-Rodríguez, D Miguel
Dalton Trans.
(2005)
6
Delayed-focus pulses for magnetic resonance imaging: an evolutionary approach.
XL Wu, P Xu, R Freeman
Magnetic Resonance in Medicine
(2005)
20
Defects in signal transduction caused by a T cell receptor β chain substitution
TA Reno, S Ley, E Sugiyama, A Cantagrel, R Blumberg, J Bonventre, C Terhorst, ET Yeh
Eur J Immunol
(2005)
20
Probing the pressure-temperature stability of amyloid fibrils provides new insights into their molecular properties.
F Meersman, CM Dobson
Biochimica Et Biophysica Acta Proteins and Proteomics
(2005)
1764
Novel structural motifs in clusters of dipolar spheres: Knots, links, and coils
MA Miller, DJ Wales
J Phys Chem B
(2005)
109
Assessment of a Coulomb-attenuated exchange-correlation energy functional
MJG Peach, T Helgaker, P Sałek, TW Keal, OB Lutnaes, DJ Tozer, NC Handy
Phys. Chem. Chem. Phys.
(2005)
8
Structure, conformational stability, and enzymatic properties of acylphosphatase from the hyperthermophile Sulfolobus solfataricus
A Corazza, C Rosano, K Pagano, V Alverdi, G Esposito, C Capanni, F Bemporad, G Plakoutsi, M Stefani, F Chiti, S Zuccotti, M Bolognesi, P Viglino
Proteins: Structure, Function, and Bioinformatics
(2005)
62
Computer-assisted design of asymmetric 1,3-dipolar cycloadditions between dimethylvinylborane and chiral nitrones
J Díaz, MA Silva, JM Goodman, SC Pellegrinet
Tetrahedron
(2005)
61
Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential
T James, DJ Wales, J Hernández-Rojas
Chem. Phys. Lett.
(2005)
415
Template-aluminosilicate structures at the early stages of zeolite ZSM-5 formation. A combined preparative, solid-state NMR, and computational study
PCMM Magusin, VE Zorin, A Aerts, CJY Houssin, AL Yakovlev, CEA Kirschhock, JA Martens, RA van Santen
J Phys Chem B
(2005)
109
Critical influence of adsorption geometry in the heterogeneous epoxidation of "allylic" alkenes: Structure and reactivity of three phenylpropene isomers on Cu(111)
FJ Williams, RL Cropley, OPH Vaughan, AJ Urquhart, MS Tikhov, C Kolczewski, K Hermann, RM Lambert
Journal of the American Chemical Society
(2005)
127
Foreword
JP Hansen, J Rowlinson
Molecular Physics
(2005)
103
Coarse-graining diblock copolymer solutions: a macromolecular version of the Widom-Rowlinson model
CI Addison, JPH *, V Krakoviack, AA Louis
Molecular Physics
(2005)
103
Energy landscapes and properties of biomolecules.
DJ Wales
Physical Biology
(2005)
2
On the correlation between bond-length change and vibrational frequency shift in hydrogen-bonded complexes: A computational study of Y center dot center dot center dot HCl dimers (Y = N-2, CO, BF)
SAC McDowell, AD Buckingham
J AM CHEM SOC
(2005)
127
Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: Structure, dynamics, and redox properties
J VandeVondele, R Lynden-Bell, EJ Meijer, M Sprik
The journal of physical chemistry. B
(2005)
110
Quantum delocalization of hydrogen in the Li2NH crystal
C Zhang, M Dyer, A Alavi
Journal of Physical Chemistry B
(2005)
109
The structure of the chiral Pt531 surface: a combined LEED and DFT study.
SR Puisto, G Held, V Ranea, SJ Jenkins, EE Mola, DA King
J Phys Chem B
(2005)
109
DNA molecular motor driven micromechanical cantilever arrays.
W Shu, D Liu, M Watari, CK Riener, T Strunz, ME Welland, S Balasubramanian, RA McKendry
Journal of the American Chemical Society
(2005)
127
Mononuclear and Polynuclear Chain Complexes of a Series of Multinucleating N/S Donor Ligands
TK Ronson, H Adams, MD Ward
European Journal of Inorganic Chemistry
(2005)
2005