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  • Currently displaying 19841 - 19860 of 29680 publications
Author(s)
Publication title
Journal Name
Publication year
Investigating the latent polymorphism of maleic acid
GM Day, AV Trask, WDS Motherwell, W Jones
Chem. Commun.
(2005)
Spectral properties of disordered fully connected graphs
SN Taraskin
Physical review. E, Statistical, nonlinear, and soft matter physics
(2005)
72
One-dimensional zinc-based coordination polymers incorporating cyanate anions
AD Bond, CJ McKenzie
Acta Crystallographica Section C Crystal Structure Communications
(2005)
61
Synthesis of a novel cyclic donor-acceptor conjugate for selective recognition of ATP.
PP Neelakandan, M Hariharan, D Ramaiah
Org Lett
(2005)
7
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
European Journal of Immunology
(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 (BBA) - 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
Physical chemistry chemical physics : PCCP
(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
(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
Chemical Physics Letters
(2005)
416
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
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
Coarse-graining diblock copolymer solutions: a macromolecular version of the Widom–Rowlinson model
CI Addison, JPH *, V Krakoviack, AA Louis
Molecular Physics
(2005)
103
Foreword
JP Hansen, J Rowlinson
Molecular Physics
(2005)
103
Energy landscapes and properties of biomolecules
DJ Wales
Physical Biology
(2005)
2
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
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)
SAC McDowell, AD Buckingham
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2005)
127