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  • Currently displaying 20741 - 20760 of 30663 publications
Author(s)
Publication title
Journal Name
Publication year
Spectral properties of disordered fully connected graphs - art. no. 056126
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
Organic letters
(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
Magn Reson Med
(2005)
20
Defects in signal transduction caused by a T cell receptor beta 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
Journal of Physical Chemistry 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
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
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
Global minima for water clusters (H2O) , n⩽ 21, described by a five-site empirical potential
T James, DJ Wales, J Hernández-Rojas
Chem. Phys. Lett.
(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
The journal of physical chemistry. 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
Special Issue: Special Issue in Honour of Professor Benjamin Widom - Foreword
JP Hansen, J Rowlinson
Molecular Physics
(2005)
103
Energy landscapes and properties of biomolecules.
DJ Wales
Phys Biol
(2005)
2
Simulating rare events in equilibrium or non-equilibrium stochastic systems
RJ Allen, D Frenkel, PRT Wolde
(2005)
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
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(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