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- Currently displaying 22701 - 22720 of 31842 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)
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 calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
International Journal of Quantum Chemistry
(2004)
43
91
(doi: 10.1002/qua.560430110)
“Learn on the Fly”: A Hybrid Classical and Quantum-Mechanical Molecular Dynamics Simulation
Phys Rev Lett
(2004)
93
p. 175503
Electrochemical activity of Li in the transition-metal sites of O3Li[Li(1-2x)/3Mn(2-x)/3Nix]O2
Electrochemical and Solid State Letters
(2004)
7
A290
(doi: 10.1149/1.1783113)
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)
Intermolecular forces in van der waals dimers
International Journal of Quantum Chemistry
(2004)
29
1223
(doi: 10.1002/qua.560290520)
Implications of unitary invariance for gradient theory
International Journal of Quantum Chemistry
(2004)
42
445
(doi: 10.1002/qua.560420307)
Magic-angle spinning: a historical perspective
Topics in current chemistry
(2004)
246
1
(doi: 10.1007/b98646)
Three- and four-body interactions in colloidal systems
SPIE Proceedings
(2004)
5514
340
(doi: 10.1117/12.554610)
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
Anal Chem
(2004)
76
6535
(doi: 10.1021/ac048975f)
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
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.
J Am Chem Soc
(2004)
126
14322
(doi: 10.1021/ja046954x)
