Thiel, W.; Voityuk, A. A.: Extension of MNDO to d Orbitals:  Parameters and Results for the Second-Row Elements and for the Zinc Group. The Journal of Physical Chemistry 100 (2), S. 616 - 626 (1996)

Cioslowski, J.; Patchkovskii, S.; Thiel, W.: Electronic structures, geometries, and energetics of highly charged cations of the C₆₀ fullerene. Chemical Physics Letters 248 (1-2), S. 116 - 120 (1996)

Behrens, P.; van de Goor, G.; Marlow, F.; Hoffmann, K.; Kallus, S.; Schüth, F.: Chromophore-zeotype composites: Direct synthesis of an array of strictly aligned metal-organic complex chromophores in a crystalline silica matrix. Advanced Materials 8 (1), S. 65 - 69 (1996)

Janiak, C.; Scharmann, T. G.; Albrecht, P.; Marlow, F.; Macdonald, R.: [Hydrotris(1,2,4-triazolyl)borato]silver(I):  Structure and Optical Properties of a Coordination Polymer Constructed from a Modified Poly(pyrazolyl)borate Ligand. Journal of the American Chemical Society 118 (26), S. 6307 - 6308 (1996)

Leike, I.; Marlow, F.: One-dimensional phase transition of dipolar molecules inside zeolite pores. Zeolites 16 (1), S. 65 - 69 (1996)

Marlow, F.; Kornatowski, J.; Reck, B.; Hoffmann, K.; Caro, J.: Dipole Chains in Zeolite Pores: The Effects of Symmetry Breaking. Molecular Crystals and Liquid Crystals Science and Technology Section A-Molecular Crystals and Liquid Crystals 276 (1-2), S. 295 - 304 (1996)

Reck, G.; Marlow, F.; Kornatowski, J.: Structure of Dipole Chains in an MFI Type Molecular Sieve. The Journal of Physical Chemistry 100 (5), S. 1698 - 1704 (1996)

Bakowies, D.; Bühl, M.; Thiel, W.: A density functional study on the shape of C₁₈₀ and C₂₄₀ fullerenes. Chemical Physics Letters 247 (4-6), S. 491 - 493 (1995)

Ravikovitch, P.I.; Domhnaill, S.C.O.; Neimark, A.V.; Schüth, F.; Unger , K.K.: Capillary Hysteresis in Nanopores: Theoretical and Experimental Studies of Nitrogen Adsorption on MCM-41. Langmuir 11 (12), S. 4765 - 4772 (1995)

Schrader, W.; Linscheidt, M.: Determination of styrene oxide adducts in DNA and DNA components. Journal of Chromatography A 717 (1-2), S. 117 - 125 (1995)

Schüth, F.: Surface Properties and Catalytic Performance of Novel Mesostructured Oxides. Berichte der Bunsen-Gesellschaft für Physikalische Chemie 99 (11), S. 1306 - 1315 (1995)

Fürstner, A.; Seidel, G.: Palladium-Catalyzed Arylation of Polar Organometallics Mediated by 9-Methoxy-9-Borabicyclo[3.3.1]nonane: Suzuki Reactions of Extended Scope. Tetrahedron 51 (41), S. 11165 - 11176 (1995)

Bakowies, D.; Bühl, M.; Thiel, W.: Can Large Fullerenes Be Spherical? Journal of the American Chemical Society 117 (40), S. 10113 - 10-118 (1995)

Fürstner, A.; Weintritt, H.; Hupperts, A.: A New, Titanium-Mediated Approach to Pyrroles: First Synthesis of Lukianol A and Lamellarin 0 Dimethyl Ether. Journal of Organic Chemistry 60 (20), S. 6637 - 6641 (1995)

Felderhoff, M.; Sustmann, R.; Steller, I.; Boese, R.: An unexpected product in attempted [4 + 2] cycloadditions of 2,2-diethyl-4,5-dimethyl-2H-imidazole. Liebigs Annalen 1995 (9), S. 1697 - 1698 (1995)

Fürstner, A.; Seidel, G.; Gabor, B.; Kopiske, C.; Krüger, C.; Mynott, R.: Unprecedented McMurry Reactions with Acylsilanes: Enedisilane Formation versus Brook Rearrangement. Tetrahedron 51 (32), S. 8875 - 8888 (1995)

Fleischer, H.; Hnyk, D.; Rankin, D. W. H.; Robertson, H. E.; Bühl, M.; Thiel, W.: The Molecular Structures and Conformations of Bis(dichlorosilyl)amine and Bis(dichlorosilyl)methylamine in the Gas Phase: Determination by Electron Diffraction and by ab Initio Calculations. Chemische Berichte 128 (8), S. 807 - 815 (1995)

Gelessus, A.; Thiel, W.; Weber, W.: Multipoles and Symmetry. Journal of Chemical Education 72 (6), S. 505 - 508 (1995)

Howard, S. T.; Hursthouse, M. B.; Lehmann, C. W.; Poyner, E. A.: Experimental and theoretical determination of electronic properties in L-dopa. Acta Crystallographica Section B 51 (3), S. 328 - 337 (1995)

Jonas, V.; Thiel, W.: Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)₆ [M=Cr, Mo, W], M(CO)₅ [M=Fe, Ru, Os], and M(CO)₄ [M=Ni, Pd, Pt]. The Journal of Chemical Physics 102 (21), S. 8474 - 8484 (1995)