Publications of Z. Chen

Chen, Z.; Heine, T.; Jiao, H.; Hirsch, A.; Thiel, W.; von Ragué Schleyer, P. Theoretical Studies on the Smallest Fullerene: from Monomer to Oligomers and Solid States. Chemistry - A European Journal 2004, 10, 963–970.

Chen, Z.; Nagase, S.; Hirsch, A.; Haddon, R. C.; Thiel, W.; von Ragué Schleyer, P. Side-Wall Opening of Single-Walled Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study. Angewandte Chemie-International Edition 2004, 43, 1552–1554.

Chen, Z.; Nagase, S.; Hirsch, A.; Haddon, R. C.; Thiel, W.; von Ragué Schleyer, P. Side-Wall Opening of Single-Walled Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study. Angewandte Chemie 2004, 116, 1578–1580.

Gu, F. L.; Chen, Z.; Jiao, H.; Tian, W. Q.; Aoki, Y.; Thiel, W.; von Ragué Schleyer, P. Study on the Optical and Magnetic Properties of C48N12 Azafullerene Isomers. Physical Chemistry Chemical Physics 2004, 6, 4566–4570.

Lu, X.; Chen, Z.; Thiel, W.; von Ragué Schleyer, P.; Huang, R.; Zheng, L. Properties of Fullerene[50] and D-5h Decachlorofullerene[50]: A Computational Study. Journal of the American Chemical Society 2004, 126, 14871–14878.

Chen, Z.; Hirsch, A.; Nagase, S.; Thiel, W.; von Ragué Schleyer, P. Spherical Sila- and Germa-Homoaromaticity. Journal of the American Chemical Society 2003, 125, 15507–15511.

Chen, Z.; Jiao, H.; Seifert, G.; Horn, A. H. C.; Yu, D.; Clark, T.; Thiel, W.; von Ragué Schleyer, P. The Structure and Stability of Si₆₀ and Ge₆₀ Cages: A Computational Study. Journal of Computational Chemistry 2003, 24, 948–953.

Chen, Z.; Jiao, H. J.; Moran, D.; Hirsch, A.; Thiel, W.; von Ragué Schleyer, P. Structures and Stabilities of Endo- and Exohedral Dodecahedrane Complexes (X@C₂₀H₂₀ and XC₂₀H₂₀, X = H⁺, H, N, P, C^-, Si^-, O⁺, S⁺). Journal of Physical Chemistry A 2003, 107, 2075–2079.

Jiao, H.; Chen, Z.; Hirsch, A.; Thiel, W. Structures and Magnetic Properties of Mono-Doped Fullerenes C₅₉Xⁿ and C₅₉X^(6-n)- (X = B^-, N⁺, P⁺, As⁺, Si): Isoelectronic Analogues of C₆₀ and C₆₀^6-. Journal of Molecular Modeling 2003, 9, 34–38.

Chen, Z.; Thiel, W.; Hirsch, A. Reactivity of the Convex and Concave Surfaces of Single-Walled Carbon Nanotubes (SWCNTs) Towards Addition Reactions: Dependence on the Carbon-Atom Pyramidalization. ChemPhysChem 2003, 4, 93–97.

Chen, Z.; Thiel, W. Performance of Semiempirical Methods in Fullerene Chemistry: Relative Energies and Nucleus-Independent Chemical Shifts. Chemical Physics Letters 2003, 367, 15–25.