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  • Currently displaying 20621 - 20640 of 29680 publications
Author(s)
Publication title
Journal Name
Publication year
Positional disorder in lattices: a model for the structural order responsible for the first sharp diffraction peak in glasses
JK Christie, SN Taraskin, SR Elliott
Journal of Physics: Condensed Matter
(2004)
16
Representation and use of chemistry in the global electronic age.
P Murray-Rust, HS Rzepa, SM Tyrrell, Y Zhang
Organic & Biomolecular Chemistry
(2004)
3
Chemical documents: Machine understanding and automated information extraction
JA Townsend, SE Adams, CA Waudby, VK de Souza, JM Goodman, P Murray-Rust
Organic & Biomolecular Chemistry
(2004)
2
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.
Z Liu, SJ Jenkins, DA King
ChemInform
(2004)
35
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
Intermolecular forces in van der waals dimers
GJB Hurst, PW Fowler, AJ Stone, AD Buckingham
International Journal of Quantum Chemistry
(2004)
29
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
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 the reactions of O(3P) atoms with DCl and DBr
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
10
The role of electronically excited states in recombination reactions
IWM Smith
International Journal of Chemical Kinetics
(2004)
16
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
JE Rice, NC Handy
International Journal of Quantum Chemistry
(2004)
43
Absolute rate constants for the reactions O(3P) atoms with HCl and HBr
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
7
Implications of unitary invariance for gradient theory
D Jayatilaka, NC Handy
International Journal of Quantum Chemistry
(2004)
42
Electrochemical Activity of Li in the Transition-Metal Sites of O3 Li [ Li ( 1 − 2x )  / 3Mn ( 2 − x )  / 3Ni x  ]  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
SPIE Proceedings
(2004)
5514
Magic-angle spinning: a historical perspective
JW Hennel, J Klinowski
Topics in current chemistry
(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.
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
New horizons in molecular informatics
RC Glen
Org Biomol Chem
(2004)
2