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  • Currently displaying 20681 - 20700 of 29903 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
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
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 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 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
ABSOLUTE RATE CONSTANTS FOR REACTIONS OF O(P-3) ATOMS WITH DCL AND DBR
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
10
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
ABSOLUTE RATE CONSTANTS FOR REACTIONS O(P-3) ATOMS WITH HCL AND HBR
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
7
The role of electronically excited states in recombination reactions
IWM Smith
International Journal of Chemical Kinetics
(2004)
16
Intermolecular forces in van der waals dimers
GJB Hurst, PW Fowler, AJ Stone, AD Buckingham
International Journal of Quantum Chemistry
(2004)
29
Magic-angle spinning: a historical perspective
JW Hennel, J Klinowski
Top Curr Chem
(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
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
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
Physical review letters
(2004)
93
New horizons in molecular informatics.
RC Glen
Organic & Biomolecular Chemistry
(2004)
2
Molecular similarity: a key technique in molecular informatics.
A Bender, RC Glen
Organic and 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