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  • Currently displaying 20201 - 20220 of 30289 publications
Author(s)
Publication title
Journal Name
Publication year
Structural role of (bacterio)chlorophyll ligated in the energetically unfavorable beta-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
J Am Chem Soc
(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
Combination of plane wave packet and nearside–farside methods applied to the He+H2+ reaction
AN Panda, SC Althorpe
Chemical Physics Letters
(2006)
419
The adsorption geometry of sulphur on Ir{1 0 0}: 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
Magnetic resonance in chemistry : MRC
(2006)
44
Diabatic free energy curves and coordination fluctuations for the aqueous Ag+/Ag2+ redox couple: A biased Born-Oppenheimer molecular dynamics investigation - art. no. 064507
J Blumberger, I Tavernelli, ML Klein, M Sprik
J Chem Phys
(2006)
124
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
The journal of physical chemistry. B
(2006)
110
Plenty of room at the top
D Frenkel
Nature Materials
(2006)
5
Thermodynamically self-consistent liquid state theories for systems with bounded potentials.
BM Mladek, G Kahl, M Neumann
The Journal of Chemical Physics
(2006)
124
Harvesting chemical information from the Internet using a distributed approach: ChemXtreme
M Karthikeyan, S Krishnan, AK Pandey, A Bender
Journal of Chemical Information and Modeling
(2006)
46
Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis
RJ Allen, D Frenkel, PRT Wolde
(2006)
Translocation Boost Protein-Folding Efficiency of Double-Barreled Chaperonins
I Coluzza, SM van der Vies, D Frenkel
Biophys J
(2006)
90
Probing the mechanism of amyloidogenesis through a tandem repeat of the PI3-SH3 domain suggests a generic model for protein aggregation and fibril formation
R Bader, R Bamford, J Zurdo, BF Luisi, CM Dobson
Journal of Molecular Biology
(2006)
356
Reactive uptake of N2O5 by aerosol particles containing mixtures of humic acid and ammonium sulfate
CL Badger, PT Griffiths, I George, JPD Abbatt, RA Cox
J Phys Chem A
(2006)
110
Enhancement of Charge-Transport Characteristics in Polymeric Films Using Polymer Brushes
GL Whiting, HJ Snaith, S Khodabakhsh, JW Andreasen, DW Breiby, MM Nielsen, NC Greenham, RH Friend, WTS Huck
Nano Letters
(2006)
6
Super-arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect
VK de Souza, DJ Wales
Physical Review Letters
(2006)
96
Characterization of the organic composition of aerosols from Rondônia, Brazil, during the LBA-SMOCC 2002 experiment and its representation through model compounds
S Decesari, S Fuzzi, MC Facchini, M Mircea, L Emblico, F Cavalli, W Maenhaut, X Chi, G Schkolnik, A Falkovich, Y Rudich, M Claeys, V Pashynska, G Vas, I Kourtchev, R Vermeylen, A Hoffer, MO Andreae, E Tagliavini, F Moretti, P Artaxo
Atmospheric Chemistry and Physics
(2006)
6
Sulfur, normally a poison, strongly promotes chemoselective catalytic hydrogenation: Stereochemistry and reactivity of crotonaldehyde on clean and S-modified Cu(111)
ME Chiu, G Kyriakou, FJ Williams, DJ Watson, MS Tikhov, RM Lambert
Chem Commun (Camb)
(2006)