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- Currently displaying 21081 - 21100 of 30213 publications
Chemical documents: machine understanding and automated information extraction.
Org Biomol Chem
(2004)
2
{3294-3300}
(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)
HIGHER ANALYTIC DERIVATIVES .1. A NEW IMPLEMENTATION FOR THE 3RD 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)
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)
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
International Journal of Quantum Chemistry
(2004)
43
91
(doi: 10.1002/qua.560430110)
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)
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)
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)
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)
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)
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)
Magic-angle spinning: a historical perspective.
Topics in current chemistry
(2004)
246
1
(doi: 10.1007/b98646)
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.
Phys Rev Lett
(2004)
93
1
New horizons in molecular informatics.
Organic & Biomolecular Chemistry
(2004)
2
e5
(doi: 10.1039/b414850a)
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)
