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- Currently displaying 20741 - 20760 of 29874 publications
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
International Journal of Quantum Chemistry
(2004)
43
91
(doi: 10.1002/qua.560430110)
Implications of unitary invariance for gradient theory
International Journal of Quantum Chemistry
(2004)
42
445
(doi: 10.1002/qua.560420307)
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)
Intermolecular forces in van der waals dimers
International Journal of Quantum Chemistry
(2004)
29
1223
(doi: 10.1002/qua.560290520)
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
(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)
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
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)
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.
Org Biomol Chem
(2004)
2
3329
(doi: 10.1039/B412802H)
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)
CMLSnap: Animated reaction mechanisms
INTERNET JOURNAL OF CHEMISTRY
(2004)
7
4
N-methyl-N-(2-pyridiniomethyl)-2-[N-(2-pyridiniomethyl)methylamino]-N-(2-pyridylmethyl)ethanaminium tris(perchlorate)
Acta Crystallographica Section E Structure Reports Online
(2004)
60
o1987
(doi: 10.1107/S1600536804025103)
5-[(E)-2-Phenylethen-1-yl]quinolin-8-ol
Acta Crystallographica Section E Structure Reports Online
(2004)
60
o1981
(doi: 10.1107/S1600536804025012)
2-(p-Nitrophenoxy)tetrahydropyran
Acta Crystallographica Section E: Crystallographic Communications
(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
1
