Items where Division is "Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz" and Year is 2006
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Claeyssens, Frederik and Harvey, Jeremy N. and Manby, Frederick R. and Mata, Ricardo A. and Mulholland, Adrian J. and Ranaghan, Kara E. and Schuetz, Martin and Thiel, Stephan and Thiel, Walter and Werner, Hans-Joachim (2006) High-accuracy computation of reaction barriers in enzymes. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 45 (41). pp. 6856-6859. ISSN 1433-7851, 1521-3773
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Hesselmann, Andreas and Jansen, Georg and Schuetz, Martin (2006) Interaction energy contributions of H-bonded and stacked structures of the AT and GC DNA base pairs from the combined density functional theory and intermolecular perturbation theory approach. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 128 (36): JA0633363. pp. 11730-11731. ISSN 0002-7863
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Kats, Danylo and Korona, Tatiana and Schuetz, Martin (2006) Local CC2 electronic excitation energies for large molecules with density fitting. JOURNAL OF CHEMICAL PHYSICS, 125 (10): 104106. ISSN 0021-9606
