Publikationen von 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.