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- Currently displaying 22001 - 22020 of 31138 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)
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 REACTIONS OF O(P-3) ATOMS WITH DCL AND DBR
International Journal of Chemical Kinetics
(2004)
10
1
(doi: 10.1002/kin.550100102)
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)
The role of electronically excited states in recombination reactions
International Journal of Chemical Kinetics
(2004)
16
423
(doi: 10.1002/kin.550160411)
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)
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[sub (1−2x)/3]Mn[sub (2−x)/3]Ni[sub x]]O[sub 2]
Electrochemical and Solid-State Letters
(2004)
7
{A290-A293}
(doi: 10.1149/1.1783113)
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)
Intermolecular forces in van der waals dimers
International Journal of Quantum Chemistry
(2004)
29
1223
(doi: 10.1002/qua.560290520)
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)
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)
New horizons in molecular informatics
Organic & Biomolecular Chemistry
(2004)
2
E5
(doi: 10.1039/b414850a)
Breakdown of classical nucleation theory near isostructural phase transitions.
Physical review letters
(2004)
93
166105
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)
Molecular similarity: a key technique in molecular informatics.
Organic & Biomolecular Chemistry
(2004)
2
3204
(doi: 10.1039/B409813G)
Studying nanoparticle-induced structural changes within fatty acid multilayer films using sum frequency generation vibrational spectroscopy
Journal of the American Chemical Society
(2004)
126
14322
(doi: 10.1021/ja046954x)
Synthesis and stability of small molecule probes for Pseudomonas aeruginosa quorum sensing modulation
Organic & Biomolecular Chemistry
(2004)
2
3329
(doi: 10.1039/b412802h)
