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  • Currently displaying 15201 - 15220 of 30215 publications
Author(s)
Publication title
Journal Name
Publication year
Phase Diagram of Hard Ellipsoids of Revolution
D Frenkel, BM Mulder, JP Mctague
Molecular Crystals and Liquid Crystals
(2011)
123
Chiral Surface Chemistry and Catalysis Preface
SJ Jenkins
Topics in Catalysis
(2011)
54
Multicolored and white-light phosphors based on doped GdF 3 nanoparticles and their potential bio-applications
FN Sayed, V Grover, V Sudarsan, BN Pandey, A Asthana, RK Vatsa, AK Tyagi
Journal of Colloid and Interface Science
(2011)
367
CMLLite: a design philosophy for CML.
JA Townsend, P Murray-Rust
Journal of cheminformatics
(2011)
3
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
NM O'Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, J-C Bradley, IV Filippov, RM Hanson, MD Hanwell, GR Hutchison, CA James, N Jeliazkova, AS Lang, KM Langner, DC Lonie, DM Lowe, J Pansanel, D Pavlov, O Spjuth, C Steinbeck, AL Tenderholt, KJ Theisen, P Murray-Rust
Journal of cheminformatics
(2011)
3
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age.
S Adams, P de Castro, P Echenique, J Estrada, MD Hanwell, P Murray-Rust, P Sherwood, J Thomas, J Townsend
Journal of cheminformatics
(2011)
3
Mining chemical information from open patents
DM Jessop, SE Adams, P Murray-Rust
Journal of Cheminformatics
(2011)
3
OSCAR4: A flexible architecture for chemical textmining
DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust
Journal of cheminformatics
(2011)
3
The semantic architecture of the World-Wide Molecular Matrix (WWMM).
P Murray-Rust, SE Adams, J Downing, JA Townsend, Y Zhang
Journal of Cheminformatics
(2011)
3
The semantics of Chemical Markup Language (CML): dictionaries and conventions.
P Murray-Rust, JA Townsend, SE Adams, W Phadungsukanan, J Thomas
Journal of Cheminformatics
(2011)
3
CML: Evolution and design.
P Murray-Rust, HS Rzepa
J Cheminform
(2011)
3
Ami - The Chemist's Amanuensis
BJ Brooks, AL Thorn, M Smith, P Matthews, S Chen, B O'Steen, SE Adams, JA Townsend, P Murray-Rust
J Cheminform
(2011)
3
Open bibliography for science, technology, and medicine.
R Jones, M Macgillivray, P Murray-Rust, J Pitman, P Sefton, B O'Steen, W Waites
J Cheminform
(2011)
3
Semantic science and its communication - a personal view.
P Murray-Rust
Journal of Cheminformatics
(2011)
3
H2 Molecules Encapsulated in Extended Ben Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
FY Naumkin, DJ Wales
The Journal of Physical Chemistry A
(2011)
115
Mode-Specific Chemisorption of CH4 on Pt{110}-(1 x 2) Explored by First-Principles Molecular Dynamics
M Sacchi, DJ Wales, SJ Jenkins
The Journal of Physical Chemistry C
(2011)
115
The fourth age of quantum chemistry: molecules in motion
AG Császár, C Fábri, T Szidarovszky, E Mátyus, T Furtenbacher, G Czakó
Phys. Chem. Chem. Phys.
(2011)
14
Defects in Doped LaGaO3 Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics
F Blanc, DS Middlemiss, Z Gan, CP Grey
Journal of the American Chemical Society
(2011)
133
Fast Resonance Assignment and Fold Determination of Human Superoxide Dismutase by High‐Resolution Proton‐Detected Solid‐State MAS NMR Spectroscopy
MJ Knight, AL Webber, AJ Pell, P Guerry, E Barbet-Massin, I Bertini, IC Felli, L Gonnelli, R Pierattelli, L Emsley, A Lesage, T Herrmann, G Pintacuda
Angewandte Chemie (International ed. in English)
(2011)
50
Amphiphile replacement on carbon nanotube surfaces: Effect of aromatic groups on the interaction strength
P Bluemmel, A Setaro, CS Popeney, B Trappmann, R Haag, S Reich
Physica Status Solidi B Basic Research
(2011)
248