Max-Planck-Institut für Kohlenforschung (MPI KoFo) / Max Planck Institute for Coal Research

Research facility

Mülheim an der Ruhr, Germany

Research projects with FAU researchers

(SPP 1179: Organokatalyse):
Chiral mono- and bifunctional organic catalysts: A joint experimental-theoretical approach to asymmetric organic synthesis (SPP 1179)
apl. Prof. Dr. Timothy Clark
(01/11/2006 - 01/06/2012)

Publications in cooperation with FAU scientists

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Schueth, F., & Wasserscheid, P. (2019). Wilhelm Keim (1934-2018). Angewandte Chemie International Edition, 58(1), 31-32.
Gliemann, B., Petrovic, A.G., Zolnhofer, E., Dral, P.O., Hampel, F., Breitenbruch, G.,... Kivala, M. (2017). Configurationally Stable Chiral Dithia-Bridged Hetero[4]helicene Radical Cation: Electronic Structure and Absolute Configuration. Chemistry - An Asian Journal, 12(1), 31-35.
Gliemann, B., Strauß, V., Hitzenberger, J., Dral, P.O., Hampel, F., Gisselbrecht, J.-P.,... Kivala, M. (2017). Dithiafulvenyl-Extended N-Heterotriangulenes and Their Interaction with C60: Cooperative Fluorescence. Chemistry - A European Journal, 23(50), 12353-12362.
Hitzenberger, J., Dral, P.O., Meinhardt, U., Clark, T., Thiel, W., Kivala, M., & Drewello, T. (2017). Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-Heterotriangulenes. ChemPlusChem, 82(2), 204-211.
Meinhardt, U., Lodermeyer, F., Schaub, T., Kunzmann, A., Dral, P.O., Sale, A.C.,... Kivala, M. (2016). N-Heterotriangulene chromophores with 4-pyridyl anchors for dye-sensitized solar cells. RSC Advances, 6(71), 67372-67377.
Kahmann, S., Fazzi, D., Matt, G., Thiel, W., Loi, M.A., & Brabec, C. (2016). Polarons in Narrow Band Gap Polymers Probed over the Entire Infrared Range: A Joint Experimental and Theoretical Investigation. Journal of Physical Chemistry Letters, 7(22), 4438-4444.
Tommasini, M., Milani, A., Fazzi, D., Lucotti, A., Castiglioni, C., Januszewski, J.,... Tykwinski, R. (2014). π-Conjugation and End Group Effects in Long Cumulenes: Raman Spectroscopy and DFT Calculations. Journal of Physical Chemistry C, 118(45), 26415-26425.
Chen, Z., Nagase, S., Hirsch, A., Haddon, R., Thiel, W., & Schleyer, P. (2004). Side-Wall Opening of Single-Walled Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study. Angewandte Chemie-International Edition, 116(12), 1578-1580.
Chen, Z., Heine, T., Jiao, H., Hirsch, A., Thiel, W., & Schleyer, P. (2004). Theoretical Studies on the Smallest Fullerene: From Monomer to Oligomers and Solid States. Chemistry - A European Journal, 10(4), 963-970.
Chen, Z., Jiao, H., Moran, D.M., Hirsch, A., Thiel, W., & Schleyer, P. (2003). Aromatic stabilization in heterofullerenes C48X12 (X = N, P, B, Si). Journal of Physical Organic Chemistry, 16(10), 726-730.
Chen, Z., Sutton, L., Moran, D.M., Hirsch, A., Thiel, W., & Schleyer, P. (2003). A Theoretical and Structural Investigation of Thiocarbon Anions. Journal of Organic Chemistry, 68(23), 8808-8814.
Chen, Z., Thiel, W., & Hirsch, A. (2003). Reactivity of the convex and concave surfaces of single-walled carbon nanotubes (SWCNTs) towards addition reactions: Dependence on the carbon-atom pyramidalization. Chemphyschem, 4(1), 93-97.
Chen, Z., Hirsch, A., Nagase, S., Thiel, W., & Schleyer, P. (2003). Spherical Sila- and Germa-Homoaromaticity. Journal of the American Chemical Society, 125(50), 15507-15511.
Jiao, H., Chen, Z., Hirsch, A., & Thiel, W. (2003). 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, 9(1), 34-38.
Chen, Z., Jiao, H., Moran, D.M., Hirsch, A., Thiel, W., & Schleyer, P. (2003). Structures and stabilities of endo- and exohedral dodecahedrane complexes (XΓ20H20 and XC20H20, X = H+, H, N, P, C-, Si-, O+, S+). Journal of Physical Chemistry A, 107(12), 2075-2079.
Jiao, H., Chen, Z., Hirsch, A., & Thiel, W. (2002). Oxa- and thia-fullerenes (C59O, C59S): Closed or opened cages? Physical Chemistry Chemical Physics, 4(20), 4916-4920.
Chen, Z., Jiao, H., Hirsch, A., & Thiel, W. (2001). BN-doped fullerenes: An NICS characterization. Journal of Organic Chemistry, 66(10), 3380-3383.
Chen, Z., Cioslowski, J., Rao, N., Moncrieff, D., Bühl, M., Hirsch, A., & Thiel, W. (2001). Endohedral chemical shifts in higher fullerenes with 72-86 carbon atoms. Theoretical Chemistry Accounts, 106(5), 364-368.
Chen, Z., Jiao, H., Hirsch, A., & Thiel, W. (2001). The 2(N+1)2 rule for spherical aromaticity: Further validation. Journal of Molecular Modeling, 7(5), 161-163.
Chen, Z., Jiao, H., Bühl, M., Hirsch, A., & Thiel, W. (2001). Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues. Theoretical Chemistry Accounts, 106(5), 352-363.

Last updated on 2015-04-12 at 15:01