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  • Currently displaying 20561 - 20580 of 30663 publications
Author(s)
Publication title
Journal Name
Publication year
Tribute to Michael L. Klein:  Scientist, Teacher, and Mentor
M Sprik, I Siepmann, D Tobias, M Tuckerman
The journal of physical chemistry. B
(2006)
110
General explanation of geometric phase effects in reactive systems: Unwinding the nuclear wave function using simple topology.
SC Althorpe
J Chem Phys
(2006)
124
The Blue Obelisk-interoperability in chemical informatics.
R Guha, MT Howard, GR Hutchison, P Murray-Rust, H Rzepa, C Steinbeck, J Wegner, EL Willighagen
Journal of chemical information and modeling
(2006)
46
Buckling in Quasi‐2D Polymers
S Edmondson, K Frieda, JE Comrie, PR Onck, WTS Huck
Advanced Materials
(2006)
18
HREM of the {111} surfaces of iron oxide nanoparticles
GR Lovely, AP Brown, R Brydson, AI Kirkland, RR Meyer, LY Chang, DA Jefferson, M Falke, A Bleloch
Micron
(2006)
37
Cooperativity in the self-assembly of porphyrin ladders.
A Camara-Campos, CA Hunter, S Tomas
Proceedings of the National Academy of Sciences of the United States of America
(2006)
103
Convergence of taboo search in continuous global optimization
M Ji, J Klinowski
Proceedings of the Royal Society A
(2006)
462
Regiospecific ligand oxygenation in iron complexes of a carboxylate-containing ligand mediated by a proposed Fev-oxo species
A Nielsen, FB Larsen, AD Bond, CJ McKenzie
Angewandte Chemie (International ed. in English)
(2006)
45
Regiospecific Ligand Oxygenation in Iron Complexes of a Carboxylate‐Containing Ligand Mediated by a Proposed FeV–Oxo Species
A Nielsen, FB Larsen, AD Bond, CJ McKenzie
Angewandte Chemie
(2006)
118
Electrodes with high power and high capacity for rechargeable lithium batteries.
K Kang, YS Meng, J Bréger, CP Grey, G Ceder
Science
(2006)
311
Structural Role of (Bacterio)chlorophyll Ligated in the Energetically Unfavorable β-Position*
A Garcia-Martin, LG Kwa, B Strohmann, B Robert, AR Holzwarth, P Braun
Journal of Biological Chemistry
(2006)
281
Asymmetric Conjugate Addition of Alkynylboronates to Enones: Rationale for the Intriguing Catalysis Exerted by Binaphthols
SC Pellegrinet, JM Goodman
Journal of the American Chemical Society
(2006)
128
Macroscopic 2D networks self-assembled from nanometer-sized protein/DNA complexes.
M Manzanera, DJ Frankel, H Li, D Zhou, A Bruckbauer, P Kreutzmann, JM Blackburn, C Abell, T Rayment, D Klenerman, PD Barker
Nano Letters
(2006)
6
The adsorption geometry of sulphur on Ir{100}: A quantitative LEED study
TJ Lerotholi, G Held, DA King
Surface Science
(2006)
600
Combination of plane wave packet and nearside–farside methods applied to the He+H2+ reaction
AN Panda, SC Althorpe
Chemical Physics Letters
(2006)
419
Deterministic and statistical methods for reconstructing multidimensional NMR spectra
JW Yoon, SJ Godsill, E Kupce, R Freeman
Magnetic Resonance in Chemistry
(2006)
44
Diabatic free energy curves and coordination fluctuations for the aqueous Ag+ Ag2+ redox couple: A biased Born-Oppenheimer molecular dynamics investigation
J Blumberger, I Tavernelli, ML Klein, M Sprik
The Journal of Chemical Physics
(2006)
124
Plenty of room at the top
D Frenkel
Nature Materials
(2006)
5
Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals
AN Sokolov, T Friscić, LR MacGillivray
J Am Chem Soc
(2006)
128
Theory of C2Hx species on Pt{110}(1x2): structure, stability, and thermal chemistry.
AT Anghel, SJ Jenkins, DJ Wales, DA King
Journal of Physical Chemistry B
(2006)
110