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- Currently displaying 20181 - 20200 of 29237 publications
Positional disorder in lattices: a model for the structural order responsible for the first sharp diffraction peak in glasses
Journal of Physics: Condensed Matter
(2004)
16
s5109
(doi: 10.1088/0953-8984/16/44/009)
Chemical documents: machine understanding and automated information extraction.
Organic & biomolecular chemistry
(2004)
2
3294
(doi: 10.1039/b411033a)
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.
ChemInform
(2004)
35
no
(doi: 10.1002/chin.200445018)
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
International Journal of Quantum Chemistry
(2004)
43
91
(doi: 10.1002/qua.560430110)
Absolute rate constants for the reactions O(3P) atoms with HCl and HBr
International Journal of Chemical Kinetics
(2004)
7
301
(doi: 10.1002/kin.550070211)
Absolute rate constants for the reactions of O(3P) atoms with DCl and DBr
International Journal of Chemical Kinetics
(2004)
10
1
(doi: 10.1002/kin.550100102)
Intermolecular forces in van der waals dimers
International Journal of Quantum Chemistry
(2004)
29
1223
(doi: 10.1002/qua.560290520)
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
International Journal of Chemical Kinetics
(2004)
18
885
(doi: 10.1002/kin.550180808)
Higher analytic derivatives. I. A new implementation for the third derivative of the SCF energy
International Journal of Quantum Chemistry
(2004)
40
179
(doi: 10.1002/qua.560400203)
The role of electronically excited states in recombination reactions
International Journal of Chemical Kinetics
(2004)
16
423
(doi: 10.1002/kin.550160411)
RATE DATA FOR O + OCS-]SO + CO AND SO + O3-]SO2 + O2 BY A NEW TIME-RESOLVED TECHNIQUE
International Journal of Chemical Kinetics
(2004)
12
729
(doi: 10.1002/kin.550121006)
Implications of unitary invariance for gradient theory
International Journal of Quantum Chemistry
(2004)
42
445
(doi: 10.1002/qua.560420307)
Electrochemical activity of Li in the transition-metal sites of O3 Li[Li(1-2x)/3Mn(2-x)/3Ni x]O2
Electrochemical and Solid State Letters
(2004)
7
{A290-A293}
(doi: 10.1149/1.1783113)
Three- and four-body interactions in colloidal systems
Proceedings of SPIE--the International Society for Optical Engineering
(2004)
5514
340
(doi: 10.1117/12.554610)
Identification of organic acids in secondary organic aerosol and the corresponding gas phase from chamber experiments.
Analytical Chemistry
(2004)
76
6535
(doi: 10.1021/ac048975f)
Breakdown of classical nucleation theory near isostructural phase transitions.
Physical Review Letters
(2004)
93
1
Thin-film metal catalyst for the production of multi-wall and single-wall carbon nanotubes
Journal of Applied Physics
(2004)
96
4456
(doi: 10.1063/1.1794359)
Molecular similarity: A key technique in molecular informatics
Org Biomol Chem
(2004)
2
3204
(doi: 10.1039/B409813G)
