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- Currently displaying 20601 - 20620 of 29827 publications
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.
– ChemInform
(2004)
35,
no
(doi: 10.1002/chin.200445018)
Implications of unitary invariance for gradient theory
– International Journal of Quantum Chemistry
(2004)
42,
445
(doi: 10.1002/qua.560420307)
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)
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)
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)
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)
Electrochemical Activity of Li in the Transition-Metal Sites of O3 Li [ Li ( 1 − 2x ) / 3Mn ( 2 − x ) / 3Ni x ] O 2
– Electrochemical and Solid State Letters
(2004)
7,
a290
(doi: 10.1149/1.1783113)
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
– International Journal of Quantum Chemistry
(2004)
43,
91
(doi: 10.1002/qua.560430110)
Intermolecular forces in van der waals dimers
– International Journal of Quantum Chemistry
(2004)
29,
1223
(doi: 10.1002/qua.560290520)
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)
The role of electronically excited states in recombination reactions
– International Journal of Chemical Kinetics
(2004)
16,
423
(doi: 10.1002/kin.550160411)
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
– Anal Chem
(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)
Studying nanoparticle-induced structural changes within fatty acid multilayer films using sum frequency generation vibrational spectroscopy
– J Am Chem Soc
(2004)
126,
14322
(doi: 10.1021/ja046954x)
Molecular similarity: a key technique in molecular informatics
– Organic & Biomolecular Chemistry
(2004)
2,
3204
(doi: 10.1039/b409813g)
Synthesis and stability of small molecule probes for Pseudomonas aeruginosa quorum sensing modulation.
– Organic and Biomolecular Chemistry
(2004)
2,
3329
(doi: 10.1039/B412802H)