Döhring, A.; Jensen, V. R.; Jolly, P. W.; Thiel, W.; Weber, J. C. Donor-Ligand-Substituted Cyclopentadienylchromium(III) Complexes:  A New Class of Alkene Polymerization Catalyst. 2. Phosphinoalkyl-Substituted Systems. Organometallics 2001, 20, 2234–2245.

Bürger, H.; Lecoutre, M.; Huet, T. R.; Breidung, J.; Thiel, W.; Hänninen, V.; Halonen, L. The (n00), n=3, 4, and 6, local mode states of H₃SiD: Fourier transform infrared and laser photoacoustic spectra and ab initio calculations of spectroscopic parameters. The Journal of Chemical Physics 2001, 114, 8844–8854.

Aguilera, B.; Wolf, L. B.; Nieczypor, P.; Rutjes, F. P. J. T.; Overkleeft, H. S.; van Hest, J. C. M.; Schoemaker, H. E.; Wang, B.; Mol, J. C.; Fürstner, A.; Overhand, M.; van der Marel, G. A.; van Boom, J. H. Synthesis of Diaminosuberic Acid Derivatives via Ring-Closing Alkyne Metathesis. The Journal of Organic Chemistry 2001, 66, 3584–3589.

Chen, Z.; Jiao, H.; Hirsch, A.; Thiel, W. BN-Doped Fullerenes:  An NICS Characterization. The Journal of Organic Chemistry 2001, 66, 3380–3383.

Krause, J.; Goddard, R.; Mynott, R.; Pörschke, K.-R. A Dinuclear Palladium(I) Ethynyl Complex: Synthesis, Structure, and Dynamics. Organometallics 2001, 20, 1992–1999.

Chen, Z.; Jiao, H.; Hirsch, A.; Thiel, W. The 2(N+1)² rule for spherical aromaticity: further validation. Journal of Molecular Modeling 2001, 7, 161–163.

Lange de Oliveira, A.; Wolf, A.; Schüth, F. Highly selective propene epoxidation with hydrogen/oxygen mixtures over titania-supported silver catalysts. Catalysis Letters 2001, 73, 157–160.

Neese, F. Theoretical Study of Ligand Superhyperfine Structure. Application to Cu(II) Complexes. The Journal of Physical Chemistry A 2001, 105, 4290–4299.

Fürstner, A.; Krause, H. Practical Method for the Rhodium-Catalyzed Addition of Aryl- and Alkenylboronic Acids to Aldehydes. Advanced Synthesis & Catalysis 2001, 343, 343–350.

Neese, F. Configuration interaction calculation of electronic g tensors in transition metal complexes. International Journal of Quantum Chemistry 2001, 83, 104–114.

Kleitz, F.; Schmidt, W.; Schüth, F. Evolution of mesoporous materials during the calcination process: structural and chemical behavior. Microporous and Mesoporous Materials 2001, 44-45, 95–109.

Möhle, K.; Hofmann, H.-J.; Thiel, W. Description of peptide and protein secondary structures employing semiempirical methods. Journal of Computational Chemistry 2001, 22, 509–520.

Marlow, F.; Kleitz, F. Mesoporous silica fibers: internal structure and formation. Microporous and Mesoporous Materials 2001, 44-45, 671–677.

Schüth, F.; Wingen, A.; Sauer, J. Oxide loaded ordered mesoporous oxides for catalytic applications. Microporous and Mesoporous Materials 2001, 44-45, 465–476.

Hoffmann, C.; Schmidt, W. N.; Schüth, F. A Multipurpose Parallelized 49-Channel Reactor for the Screening of Catalysts: Methane Oxidation as the Example Reaction. Journal of Catalysis 2001, 198, 348–354.

Stichert, W.; Schüth, F.; Kuba, S.; Knözinger, H. Monoclinic and Tetragonal High Surface Area Sulfated Zirconias in Butane Isomerization: CO Adsorption and Catalytic Results. Journal of Catalysis 2001, 198, 277–285.

Marlow, F.; Leike, I.; Weidenthaler, C.; Lehmann, C. W.; Wilczok, U. Mesostructured Silica Fibers: Ring Structures in Reciprocal Space. Advanced Materials 2001, 13, 307–310.

Fürstner, A.; Thiel, O. R.; Ackermann, L. Exploiting the Reversibility of Olefin Metathesis. Syntheses of Macrocyclic Trisubstituted Alkenes and (R,R)-(−)-Pyrenophorin. Organic Letters 2001, 3, 449–451.

Fürstner, A.; Voigtländer, D.; Schrader, W.; Giebel, D.; Reetz, M. T. A “Hard/Soft” Mismatch Enables Catalytic Friedel−Crafts Acylations. Organic Letters 2001, 3, 417–420.

Hamprecht, F. A.; Peter, C.; Daura, X.; Thiel, W.; van Gunsteren, W. F. A strategy for analysis of (molecular) equilibrium simulations: Configuration space density estimation, clustering, and visualization. The Journal of Chemical Physics 2001, 114, 2079–2089.