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  • Currently displaying 19601 - 19620 of 29618 publications
Author(s)
Publication title
Journal Name
Publication year
Circular fingerprints: Flexible molecular descriptors with applications from physical chemistry to ADME
RC Glem, A Bender, CH Arnby, L Carlsson, S Boyer, J Smith
I Drugs
(2006)
9
Theoretical approaches to protein aggregation
J Gsponer, M Vendruscolo
Protein and peptide letters
(2006)
13
Pamoic acid determined from powder diffraction data
DA Haynes, J Van de Streek, JC Burley, W Jones, WDS Motherwell
Acta Crystallographica Section E Structure Reports Online
(2006)
62
Method for accurately estimating pKa of molecules using atom type definitions and partial least squares
RC Glen, L Xing
(2006)
Lithiation of ramsdellite-pyrolusite MnO2; NMR, XRD, TEM and electrochemical investigation of the discharge mechanism
W Bowden, CP Grey, S Hackney, F Wang, Y Paik, N Iltchev, R Sirotina
Journal of Power Sources
(2006)
153
HREM of metallized {111} iron oxide nanoparticle surfaces
GR Lovely, AP Brown, R Brydson, AI Kirkland, R Meyer, LY Chang, DA Jefferson, M Falke, A Bleloch
Journal of Physics Conference Series
(2006)
26
Real-time measurement of oligomeric species in secondary organic aerosol with the aerosol time-of-flight mass spectrometer.
DS Gross, ME Gälli, M Kalberer, ASH Prevot, J Dommen, MR Alfarra, J Duplissy, K Gaeggeler, A Gascho, A Metzger, U Baltensperger
Anal Chem
(2006)
78
The Crystalline Structures of Carboxylic Acid Monolayers Adsorbed on Graphite
AK Bickerstaffe, NP Cheah, SM Clarke, JE Parker, A Perdigon, L Messe, A Inaba
The Journal of Physical Chemistry B
(2006)
110
Radiative forcing since preindustrial times due to ozone change in the troposphere and the lower stratosphere
M Gauss, G Myhre, ISA Isaksen, V Grewe, G Pitari, O Wild, WJ Collins, FJ Dentener, K Ellingsen, LK Gohar, DA Hauglustaine, D Iachetti, F Lamarque, E Mancini, LJ Mickley, MJ Prather, JA Pyle, MG Sanderson, KP Shine, DS Stevenson, K Sudo, S Szopa, G Zeng
Atmospheric Chemistry and Physics
(2006)
6
Pantothenate biosynthesis in higher plants: advances and challenges
E Chakauya, KM Coxon, HM Whitney, JL Ashurst, C Abell, AG Smith
Physiologia Plantarum
(2006)
126
Optical Sum-Frequency Emission from Langmuir-Blodgett Films of Variable Thickness: Effects of the Substrate and Polar Orientation of Fatty Acids in the Films
T Nishida, CM Johnson, J Holman, M Osawa, PB Davies, S Ye
Physical review letters
(2006)
96
Transfer Printing Water‐Soluble Inorganic Salts
Z Zheng, O Azzaroni, ME Vickers, WTS Huck
Advanced Functional Materials
(2006)
16
Tribute to Michael L. Klein: scientist, teacher, and mentor.
M Sprik, I Siepmann, D Tobias, M Tuckerman
J Phys Chem B
(2006)
110
General explanation of geometric phase effects in reactive systems: Unwinding the nuclear wave function using simple topology
SC Althorpe
The 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
J Chem Inf Model
(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 (Oxford, England : 1993)
(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
Angew Chem Int Ed Engl
(2006)
45