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Heteroaromatic π-stacking energy landscapes.
Huber RG, Margreiter MA, Fuchs JE, von Grafenstein S, Tautermann CS, Liedl KR, Fox T. Huber RG, et al. Among authors: tautermann cs. J Chem Inf Model. 2014 May 27;54(5):1371-9. doi: 10.1021/ci500183u. Epub 2014 May 9. J Chem Inf Model. 2014. PMID: 24773380 Free PMC article.
Extended method for adiabatic mode reordering.
Tautermann CS, Voegele AF, Loerting T, Kaps P, Liedl KR. Tautermann CS, et al. J Comput Chem. 2003 Feb;24(3):386-95. doi: 10.1002/jcc.10185. J Comput Chem. 2003. PMID: 12548730
About the stability of sulfurous acid (H2SO3) and its dimer.
Voegele AF, Tautermann CS, Loerting T, Hallbrucker A, Mayer E, Liedl KR. Voegele AF, et al. Among authors: tautermann cs. Chemistry. 2002 Dec 16;8(24):5644-51. doi: 10.1002/1521-3765(20021216)8:24<5644::AID-CHEM5644>3.0.CO;2-9. Chemistry. 2002. PMID: 12693045
66 results