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  • Currently displaying 22001 - 22020 of 31133 publications
Author(s)
Publication title
Journal Name
Publication year
Higher analytic derivatives. I. A new implementation for the third derivative of the SCF energy
SM Colwell, D Jayatilaka, PE Maslen, RD Amos, NC Handy
International Journal of Quantum Chemistry
(2004)
40
Intermolecular forces in van der waals dimers
GJB Hurst, PW Fowler, AJ Stone, AD Buckingham
International Journal of Quantum Chemistry
(2004)
29
Electrochemical activity of Li in the transition-metal sites of O3 Li[Li(1-2x)/3Mn(2-x)/3Ni x]O2
CP Grey, W-S Yoon, J Reed, G Ceder
Electrochemical and Solid State Letters
(2004)
7
TIME-RESOLVED VIBRATIONAL CHEMILUMINESCENCE - RATE CONSTANTS FOR THE REACTIONS OF F-ATOMS WITH H2O AND HCN, AND FOR THE RELAXATION OF HF (V = 1) BY H2O AND HCN
RJ Frost, DS Green, MK Osborn, IWM Smith
International Journal of Chemical Kinetics
(2004)
18
The role of electronically excited states in recombination reactions
IWM Smith
International Journal of Chemical Kinetics
(2004)
16
RATE DATA FOR O + OCS-]SO + CO AND SO + O3-]SO2 + O2 BY A NEW TIME-RESOLVED TECHNIQUE
JS Robertshaw, IWM Smith
International Journal of Chemical Kinetics
(2004)
12
Absolute rate constants for the reactions of O(3P) atoms with DCl and DBr
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
10
Magic-angle spinning: a historical perspective
JW Hennel, J Klinowski
Topics in current chemistry
(2004)
246
Three- and four-body interactions in colloidal systems
J Dobnikar, M Brunner, J Baumgartl, C Bechinger, H-H von Gruenberg
Proceedings of SPIE the International Society for Optical Engineering
(2004)
5514
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
Thin-film metal catalyst for the production of multi-wall and single-wall carbon nanotubes
RG Lacerda, KBK Teo, AS Teh, MH Yang, SH Dalal, DA Jefferson, JH Durrell, NL Rupesinghe, D Roy, GAJ Amaratunga, WI Milne, F Wyczisk, P Legagneux
Journal of Applied Physics
(2004)
96
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
Simulating colloids with Baxter's adhesive hard sphere model
MA Miller, D Frenkel
Journal of Physics: Condensed Matter
(2004)
16
5-[(E)-2-Phenylethen-1-yl]quinolin-8-ol
JK Bjernemose, RJ Less, PR Raithby
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
2-(p-Nitrophenoxy)tetrahydropyran
R Chopra, N Shan, WDS Motherwell, W Jones
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60