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- Currently displaying 21001 - 21020 of 30140 publications
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)
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)
The role of electronically excited states in recombination reactions
International Journal of Chemical Kinetics
(2004)
16
423
(doi: 10.1002/kin.550160411)
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
SPIE Proceedings
(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
Physical Review Letters
(2004)
93
166105
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)
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)
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 & Biomolecular Chemistry
(2004)
2
3329
(doi: 10.1039/b412802h)
5-[(E)-2-phenylethen-1-yl]quinolin-8-ol
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
O1981
(doi: 10.1107/S1600536804025012)
Simulating colloids with Baxter s adhesive hard sphere model
Journal of Physics: Condensed Matter
(2004)
16
s4901
(doi: 10.1088/0953-8984/16/42/008)
N-methyl-N-(2-pyridiniomethyl)-2-[N-(2-pyridiniomethyl)methylamino]-N-(2-pyridylmethyl)ethanaminium tris(perchlorate)
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
O1987
(doi: 10.1107/S1600536804025103)
CMLSnap: Animated reaction mechanisms
INTERNET JOURNAL OF CHEMISTRY
(2004)
7
4
2-(p-Nitrophenoxy)tetrahydropyran
Acta Crystallographica Section E Structure Reports Online
(2004)
60
o1923
(doi: 10.1107/S1600536804023748)
Role of nanostructured dual-oxide supports in enhanced catalytic activity: Theory of CO oxidation over Au/IrO2/TiO2
Physical Review Letters
(2004)
93
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