Publikationen
Zeitschriftenartikel (13)
1998
Zeitschriftenartikel
Thiel, W. Propriétés rédox de fullerènes fonctionnalisés. Canadian Journal of Chemical Engineering 1998, 76, 1008–1012.
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Zeitschriftenartikel
Breidung, J.; Thiel, W.; ; Ab Initio Calculations and High-Resolution Spectroscopy of the Bending Pentad of SiH2D2 in the 10–16 μm Region. Journal of Molecular Spectroscopy 1998, 192, 294–308.
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Zeitschriftenartikel
Breidung, J.; Thiel, W. Anharmonic force field and spectroscopic constants of silene: an ab initio study. Theoretical Chemistry Accounts 1998, 100, 183–190.
Zeitschriftenartikel
Thiel, W. Tests of a density functional with Laplacian terms: activation barriers and bond-stretching energies. Chemical Physics Letters 1998, 295, 467–474.
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Zeitschriftenartikel
Thiel, W. Combined Quantum Mechanical and Molecular Mechanical Approaches. Chimia 1998, 52, 288–291.
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Zeitschriftenartikel
Thiel, W. Molecular structure of the fullerene C70 at 825°C: quantum-chemical molecular dynamics simulations. Chemical Physics Letters 1998, 288, 183–187.
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Zeitschriftenartikel
Thiel, W. Density Functional Study of the Vibrational Spectra of Octahedral Transition-Metal Hexacarbonyls: Neutral Molecules (M = Cr, Mo, W) and Isoelectronic Ions (M = V, Nb, Ta; Mn, Re; Fe, Ru, Os; Co, Rh, Ir; Pt; Au). Organometallics 1998, 17, 353–360.
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Zeitschriftenartikel
Thiel, W. C60 Dimers: A Route to Endohedral Fullerene Compounds? Journal of the American Chemical Society 1998, 120, 556–563.
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Zeitschriftenartikel
Breidung, J.; Thiel, W.; ; A Charge-Transfer Complex of Xenon and Difluorovinylidene. Journal of the American Chemical Society 1998, 120, 219–220.
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Zeitschriftenartikel
Thiel, W. Exchange-correlation density functional beyond the gradient approximation. Physical Review A: Atomic, Molecular, and Optical Physics 1998, 57, 189–199.
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Zeitschriftenartikel
Bühl, M.; Thiel, W. Gas-phase molecular structures of bis(chloromethylsilyl)amine and bis(chloromethylsilyl)methylamine by electron diffraction and ab initio calculations; experimental support for n(N)–σ*(Si–Cl) hyperconjugation. Journal of the Chemical Society, Dalton Transactions 1998, Nr. 4, 593–600.
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Zeitschriftenartikel
Thiel, W. Embedding. Nachrichten aus Chemie, Technik und Laboratorium 1998, 46, 198–201.
Buchkapitel (4)
1998
Buchkapitel
Thiel, W. On the Treatment of Link Atoms in Hybrid Methods; , , Hrsg.; , , Hrsg.; ACS Symposium Series, Vol. 712: Combined Quantum Mechanical and Molecular Mechanical Methods; American Chemical Society.: Washington, DC, 1998; Bd. 712, S 50–65.
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Buchkapitel
Thiel, W. MNDO/d. In Encyclopedia of Computational Chemistry; , Hrsg.; , Hrsg.; Wiley: Chichester, 1998; S 1604–1605.
Buchkapitel
Thiel, W. MNDO. In Encyclopedia of Computational Chemistry; , Hrsg.; , Hrsg.; Wiley: Chichester, 1998; S 1599–1604.
Buchkapitel
Thiel, W. Thermochemistry from Semiempirical Molecular Orbital Theory; , , Hrsg.; , , Hrsg.; ACS Symposium Series, Vol. 677: Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics; American Chemical Society.: Washington, DC, 1998; Bd. 677, S 142–161.