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  • Currently displaying 20641 - 20660 of 29852 publications
Author(s)
Publication title
Journal Name
Publication year
New horizons in molecular informatics
RC Glen
Organic & biomolecular chemistry
(2004)
2
Identification of Organic Acids in Secondary Organic Aerosol and the Corresponding Gas Phase from Chamber Experiments
R Fisseha, J Dommen, M Sax, D Paulsen, M Kalberer, R Maurer, F Höfler, E Weingartner, U Baltensperger
Anal Chem
(2004)
76
Breakdown of classical nucleation theory near isostructural phase transitions
A Cacciuto, S Auer, D Frenkel
Phys Rev Lett
(2004)
93
Molecular similarity: a key technique in molecular informatics.
A Bender, RC Glen
Organic & Biomolecular Chemistry
(2004)
2
Studying Nanoparticle-Induced Structural Changes within Fatty Acid Multilayer Films Using Sum Frequency Generation Vibrational Spectroscopy
J Holman, S Ye, DJ Neivandt, PB Davies
Journal of the American Chemical Society
(2004)
126
Synthesis and stability of small molecule probes for Pseudomonas aeruginosa quorum sensing modulation.
FG Glansdorp, GL Thomas, JJK Lee, JM Dutton, GPC Salmond, M Welch, DR Spring
Organic & Biomolecular Chemistry
(2004)
2
5-[(E)-2-phenylethen-1-yl]quinolin-8-ol
JK Bjernemose, RJ Less, PR Raithby
Acta Crystallographica Section E Structure Reports Online
(2004)
60
CMLSnap: Animated reaction mechanisms
GL Holliday, JBO Mitchell, P Murray-Rust
INTERNET JOURNAL OF CHEMISTRY
(2004)
7
2-(p-Nitrophenoxy)tetrahydropyran
R Chopra, N Shan, WDS Motherwell, W Jones
Acta Crystallographica Section E Structure Reports Online
(2004)
60
N-methyl-N-(2-pyridiniomethyl)-2-[N-(2-pyridiniomethyl)methylamino] -N-(2-pyridylmethyl)ethanaminium tris(perchlorate)
A Rompel, AD Bond, CJ McKenzie
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
Simulating colloids with Baxter s adhesive hard sphere model
MA Miller, D Frenkel
Journal of Physics: Condensed Matter
(2004)
16
Role of nanostructured dual-oxide supports in enhanced catalytic activity: Theory of CO oxidation over Au/IrO2/TiO2
ZP Liu, SJ Jenkins, DA King
Physical Review Letters
(2004)
93
Novel cerium( iv ) heteropolyoxotungstate containing two types of lacunary Keggin anions
FL Sousa, FA Almeida Paz, AMV Cavaleiro, J Klinowski, HIS Nogueira
Chemical Communications
(2004)
Analysis of cooperativity and localization for atomic rearrangements.
SA Trygubenko, DJ Wales
The Journal of Chemical Physics
(2004)
121
Rovibrational product state distribution for inelastic H+D2 collisions
AE Pomerantz, F Ausfelder, RN Zare, JC Juanes-Marcos, SC Althorpe, V Sáez Rábanos, FJ Aoiz, L Bañares, JF Castillo
The Journal of Chemical Physics
(2004)
121
Direct Sticking and Differential Adsorption Heats as Probes of Structural Transitions: O2 on the Stepped Ni{211} Surface
AD Karmazyn, V Fiorin, DA King
Journal of the American Chemical Society
(2004)
126
Assessment of lattice energy minimization for the prediction of molecular organic crystal structures
GM Day, J Chisholm, N Shan, WDS Motherwell, W Jones
Crystal Growth and Design
(2004)
4
Role of nanostructured dual-oxide supports in enhanced catalytic activity: theory of CO oxidation over Au/IrO2/TiO2.
Z-P Liu, SJ Jenkins, DA King
Phys Rev Lett
(2004)
93
Measuring Brønsted acid densites in zeolite HY with diphosphine molecules and solid state NMR spectroscopy
L Peng, PJ Chupas, CP Grey
J Am Chem Soc
(2004)
126
Quantifying Intermolecular Interactions: Guidelines for the Molecular Recognition Toolbox
CA Hunter
Angewandte Chemie International Edition
(2004)
43