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  • Currently displaying 21061 - 21080 of 31174 publications
Author(s)
Publication title
Journal Name
Publication year
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
The 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
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
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
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
J Chem Phys
(2006)
124
Deterministic and statistical methods for reconstructing multidimensional NMR spectra.
JW Yoon, SJ Godsill, E Kupce, R Freeman
Magnetic resonance in chemistry : MRC
(2006)
44
Theory of C2Hx Species on Pt{110}(1 × 2):  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
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
Harvesting chemical information from the internet using a distributed approach: ChemXtreme
M Karthikeyan, S Krishnan, AK Pandey, A Bender
J Chem Inf Model
(2006)
46
Thermodynamically self-consistent liquid state theories for systems with bounded potentials.
BM Mladek, G Kahl, M Neumann
The Journal of Chemical Physics
(2006)
124
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
Translocation boost protein-folding efficiency of double-barreled chaperonins
I Coluzza, SM van der Vies, D Frenkel
Biophys J
(2006)
90
Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis
RJ Allen, D Frenkel, PRT Wolde
(2006)
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
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
The Journal of Physical Chemistry A
(2006)
110
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)
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