Theoretical study of adsorption of methyl tert‐butyl ether on the substituted tetrahedral surface of dickite.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 818, doi. 10.1002/qua.20248
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2004 AND VI 100 AND IP 5
Results: 16
1
2
Modeling of the molecular structure and catalytic activity of the new fullerene‐based catalyst (η2‐c60)pd(PPh3)2: An application in the reaction of selective hydrogenation of acetylenic alcohols.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 810, doi. 10.1002/qua.20247
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- Article
3
A theoretical study of the structure and properties of uric acid: A potent antioxidant.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 801, doi. 10.1002/qua.20246
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- Article
4
Conventional strain energy in the oxadiazetidines.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 788, doi. 10.1002/qua.20245
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- Publication type:
- Article
5
Capillary electrophoretic separation and theoretical study of inclusion complexes of sulfobutyl ether β‐cyclodextrin with estrogens.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 746, doi. 10.1002/qua.20239
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- Article
6
Theoretical AM1 studies of inclusion complexes of heptakis(2‐O‐hydroxypropyl)‐β‐cyclodextrins with alkylated phenols.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 771, doi. 10.1002/qua.20243
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- Publication type:
- Article
7
Coupled‐cluster studies of HOONO+: Additional conformers of the 2A″ON+—OOH complex and a comparison of restricted and unrestricted open‐shell Hartree–Fock coupled‐cluster results.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 764, doi. 10.1002/qua.20242
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- Publication type:
- Article
8
Self‐assembly structure of the levulinic acid–melamine lattice.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 758, doi. 10.1002/qua.20241
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- Publication type:
- Article
9
A computational study of a fluorescent photoinduced electron transfer (PET) sensor for cations.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 753, doi. 10.1002/qua.20240
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- Publication type:
- Article
10
Theoretical study of the ground‐state gas‐phase unimolecular decomposition channels of propynoic acid.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 779, doi. 10.1002/qua.20244
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- Publication type:
- Article
11
Ab initio studies of stepped {100} surfaces of KDP crystals.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 740, doi. 10.1002/qua.20238
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- Publication type:
- Article
12
Noncovalent intermolecular energetics: RDX crystal.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 733, doi. 10.1002/qua.20237
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- Article
13
Relative energies, stereoelectronic interactions, and conformational interconversion in silacycloalkanesThis article contains supplementary material available via the Internet at http://www.interscience.wiley.com/jpages/0020‐7608/suppmat.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 720, doi. 10.1002/qua.20236
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- Publication type:
- Article
14
Correlation between sensitivity and approximated heats of detonation of several nitroamines using quantum mechanical methods.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 713, doi. 10.1002/qua.20235
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- Publication type:
- Article
15
Time‐dependent non‐wavepacket theory of electron scattering.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 710, doi. 10.1002/qua.20234
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- Article
16
Preface.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 100, n. 5, p. 709, doi. 10.1002/qua.20233
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- Publication type:
- Article