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- Currently displaying 20221 - 20240 of 29256 publications
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)
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)
The role of electronically excited states in recombination reactions
International Journal of Chemical Kinetics
(2004)
16
423
(doi: 10.1002/kin.550160411)
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 REACTIONS O(P-3) ATOMS WITH HCL AND HBR
International Journal of Chemical Kinetics
(2004)
7
301
(doi: 10.1002/kin.550070211)
Implications of unitary invariance for gradient theory
International Journal of Quantum Chemistry
(2004)
42
445
(doi: 10.1002/qua.560420307)
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[sub (1−2x)/3]Mn[sub (2−x)/3]Ni[sub x]]O[sub 2]
Electrochemical and Solid State Letters
(2004)
7
A290
(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 and Biomolecular Chemistry
(2004)
2
3329
(doi: 10.1039/b412802h)
CMLSnap: Animated reaction mechanisms
INTERNET J CHEM
(2004)
7
4
