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  • Currently displaying 19281 - 19300 of 29295 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
Journal of Chemical Physics
(2006)
124
Buckling in Quasi‐2D Polymers
S Edmondson, K Frieda, JE Comrie, PR Onck, WTS Huck
Advanced Materials
(2006)
18
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
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
Convergence of taboo search in continuous global optimization
M Ji, J Klinowski
Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences
(2006)
462
Cooperativity in the self-assembly of porphyrin ladders
A Camara-Campos, CA Hunter, S Tomas
Proceedings of the National Academy of Sciences
(2006)
103
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
Regiospecific ligand oxygenation in iron complexes of a carboxylate-containing ligand mediated by a proposed Fe(v)-oxo species.
A Nielsen, FB Larsen, AD Bond, CJ McKenzie
Angew Chem Int Ed Engl
(2006)
45
Electrodes with high power and high capacity for rechargeable lithium batteries
K Kang, YS Meng, J Bréger, CP Grey, G Ceder
Science (New York, N.Y.)
(2006)
311
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
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
J Biol Chem
(2006)
281
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
Combination of plane wave packet and nearside-farside methods applied to the He+H+2 reaction
AN Panda, SC Althorpe
Chemical Physics Letters
(2006)
419
The adsorption geometry of sulphur on Ir{100}: A quantitative LEED study
TJ Lerotholi, G Held, DA King
Surface Science
(2006)
600
Deterministic and statistical methods for reconstructing multidimensional NMR spectra
JW Yoon, SJ Godsill, E Kupce, R Freeman
Magn Reson Chem
(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
Theory of C2Hx species on Pt{110}(1 × 2): Structure, stability, and thermal chemistry
AT Anghel, SJ Jenkins, DJ Wales, DA King
Journal of Physical Chemistry B
(2006)
110
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
Journal of the American Chemical Society
(2006)
128