Bailleux, S.; Bogey, M.; Breidung, J.; Bürger, H.; Fajgar, R.; Liu, Y.; Pola, J.; Senzlober, M.; Thiel, W. Silaethene H₂C=SiH₂: Millimeter Wave Spectrum and Ab Initio Calculations. Angewandte Chemie, International Edition in English 1996, 35, 2513–2515.

Fürstner, A.; Bogdanović, B. New Developments in the Chemistry of Low-Valent Titanium. Angewandte Chemie International Edition in English 1996, 35, 2442–2469.

Bach, I.; Pörschke, K.-R.; Goddard, R.; Kopiske, C.; Krüger, C.; Rufinska, A.; Seevogel, K. Synthesis, Structure, and Properties of {(^tBu₂PC₂H₄P^tBu₂)Ni}₂(μ-η²:η²-C₆H₆) and (^tBu₂PC₂H₄P^tBu₂)Ni(η²-C₆F₆)¹. Organometallics 1996, 15, 4959–4966.

Bryce, M. R.; Chalton, M. A.; Batsanov, A. S.; Lehmann, C. W.; Howard, J. A. K. Nitroso derivatives of 1,3-dithiol-2-ylidene stabilised by intramolecular oxygen...sulfur interactions: Synthesis and X-ray crystal structures. Journal of the Chemical Society-Perkin Transactions 2 1996, Nr. 11, 2367–2371.

Fürstner, A.; Brunner, H. Preparation of Allyl-, Alkenyl- and of Functionalized Arylmanganese Reagents by Oxidative Insertion of Manganese-Graphite into Organic Halides. Tetrahedron Letters 1996, 37, 7009–7012.

Fürstner, A.; Kindler, N. Macrocycle Formation by Ring-Closing-Metathesis. 2. An Efficient Synthesis of Enantiomerically Pure (R)-(+)-Lasiodiplodin. Tetrahedron Letters 1996, 37, 7005–7008.

Chambers, R. D.; Hutchinson, J.; Batsanov, A. S.; Lehmann, C. W.; Naumov, D. Y. Elemental fluorine. Part 6. Fluorination of cyclic 1,3-diketones and related compounds. Journal of the Chemical Society, Perkin Transactions 1 1996, Nr. 18, 2271–2275.

Neese, F.; Zumft, W. G.; Antholine, W. E.; Kroneck, P. M. H. The Purple Mixed-Valence Cu_A Center in Nitrous-oxide Reductase:  EPR of the Copper-63-, Copper-65-, and Both Copper-65- and [¹⁵N]Histidine-Enriched Enzyme and a Molecular Orbital Interpretation. Journal of the American Chemical Society 1996, 118, 8692–8699.

Breidung, J.; Hansen, T.; Thiel, W. Equilibrium Structure and Spectroscopic Constants of Difluoroethyne: An ab Initio Study. Journal of Molecular Spectroscopy 1996, 179, 73–78.

Jonas, V.; Thiel, W. Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)₅ (M=Mn, Re), H₂M(CO)₄ (M=Fe, Ru, Os), and HM(CO)₄ (M=Co, Rh, Ir). The Journal of Chemical Physics 1996, 105, 3636–3648.

Schacht, S.; Huo, Q.; Voigt-Martin, I. G.; Stucky, G. D.; Schüth, F. Oil-Water Interface Templating of Mesoporous Macroscale Structures. Science 1996, 273, 768–771.

Felderhoff, M.; Sustmann, R. Diels-Alder-Reaktion eines elektronenarmen C-Acylimins mit Tetraethoxyethylen. Monatshefte für Chemie / Chemical Monthly 1996, 127, 967–970.

Patchkovskii, S.; Thiel, W. Analytical second derivatives of the energy in MNDO methods. Journal of Computational Chemistry 1996, 17, 1318–1327.

Patchkovskii, S.; Thiel, W. How Does Helium Get into Buckminsterfullerene? Journal of the American Chemical Society 1996, 118, 7164–7172.

Grün, M.; Kurgasnov, A. A.; Schacht, S.; Schüth, F.; Unger, K. K. Comparison of an ordered mesoporous aluminosilicate, silica, alumina, titania and zirconia in normal-phase high-performance liquid chromatography. Journal of Chromatography A 1996, 740, 1–9.

Schunk, S.; Demuth, D.; Schulz-Dobrick, B.; Unger, K. K.; Schüth, F. Element distribution and growth mechanism of large SAPO-5 crystals. Microporous and Mesoporous Materials 1996, 6, 273–285.

Bakowies, D.; Thiel, W. Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches. The Journal of Physical Chemistry 1996, 100, 10580–10594.

Fürstner, A.; Langemann, K. Conformationally Unbiased Macrocyclization Reactions by Ring Closing Metathesis. The Journal of Organic Chemistry 1996, 61, 3942–3943.

Fürstner, A.; Ernst, A.; Krause, H.; Ptock, A. Low-valent titanium induced indole formation: Syntheses of secofascaplysin, indolopyridocoline and an endothelin-receptor-antagonist. Tetrahedron 1996, 52, 7329–7344.

Malagoli, M.; Thiel, W. A semiempirical approach to nonlinear optical properties of large molecules at the MNDO and level. Chemical Physics 1996, 206, 73–85.