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  • Currently displaying 20581 - 20600 of 29636 publications
Author(s)
Publication title
Journal Name
Publication year
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.
Z Liu, SJ Jenkins, DA King
ChemInform
(2004)
35
ABSOLUTE RATE CONSTANTS FOR REACTIONS O(P-3) ATOMS WITH HCL AND HBR
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
7
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
Intermolecular forces in van der waals dimers
GJB Hurst, PW Fowler, AJ Stone, AD Buckingham
International Journal of Quantum Chemistry
(2004)
29
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
Implications of unitary invariance for gradient theory
D Jayatilaka, NC Handy
International Journal of Quantum Chemistry
(2004)
42
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
The role of electronically excited states in recombination reactions
IWM Smith
International Journal of Chemical Kinetics
(2004)
16
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 calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
JE Rice, NC Handy
International Journal of Quantum Chemistry
(2004)
43
Electrochemical activity of Li in the transition-metal sites of O3Li[Li(1-2x)/3Mn(2-x)/3Nix]O-2
CP Grey, W-S Yoon, J Reed, G Ceder
Electrochemical and Solid-State Letters
(2004)
7
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
Magic-angle spinning: a historical perspective
JW Hennel, J Klinowski
Top Curr Chem
(2004)
246
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
Analytical chemistry
(2004)
76
Breakdown of classical nucleation theory near isostructural phase transitions - art. no. 166105
A Cacciuto, S Auer, D Frenkel
Physical review letters
(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
New horizons in molecular informatics.
RC Glen
Org Biomol Chem
(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
J Am Chem Soc
(2004)
126
Molecular similarity: a key technique in molecular informatics
A Bender, RC Glen
Organic & biomolecular chemistry
(2004)
2
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