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Induced magnetic fields in aromatic [n]-annulenes-interpretation of NICS tensor components Corminboeuf, Anne-Clémence; Heine, Thomas; Seifert, Gotthard; Schleyer, Paul von Ragué; Weber, Jacques 2004
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Antiaromaticity in Bare Deltahedral Silicon Clusters Satsifying Wade's and Hirsch's Rules: An Apparent Correlation of Antiaromaticity with High Symmetry King, R. Bruce; Corminboeuf, Anne-Clémence; Heine, Thomas; Schleyer, Paul von Ragué 2004
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Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts Heine, Thomas; Schleyer, Paul von Ragué; Corminboeuf, Anne-Clémence; Seifert, Gotthard; ... Weber, Jacques 2003
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Do All-Metal Antiaromatic Clusters Exist? Chen, Zhongfang; Corminboeuf, Anne-Clémence; Heine, Thomas; Bohmann, Jon; Schleyer, Paul von Ragué 2003
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The Change of Aromaticity along a Diels-Alder Reaction Path Corminboeuf, Anne-Clémence; Heine, Thomas; Weber, Jacques 2003
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Evaluation of aromaticity: A new dissected NICS model based on canonical orbitals Corminboeuf, Anne-Clémence; Heine, Thomas; Weber, Jacques 2003
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Nuclear magnetic resonance chemical shifts and paramagnetic field modifications in La2CuO4 Renold, S.; Heine, Thomas; Weber, Jacques; Meier, P.F. 2003
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29Si NMR chemical shifts of silane derivatives Corminboeuf, Anne-Clémence; Heine, Thomas; Weber, Jacques 2002
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Dynamics of carbon clusters: chemical equilibration of rings and bi-cyclic rings Heine, Thomas; Zerbetto, Francesco 2002
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13C NMR patterns of C36H2x fullerene hydrides Corminboeuf, Anne-Clémence; Fowler, Patrick W.; Heine, Thomas 2002
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Isomers of C70 Dimer Heine, Thomas; Zerbetto, Francesco; Seifert, Gotthard; Fowler, P. W. 2001
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Development of a tight-binding treatment for zeolites Elstner, M.; Goursot, Annick; Hajnal, Z.; Heine, Thomas; Weber, Jacques 2001
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Performance of DFT for 29Si NMR chemical shifts of silanes Heine, Thomas; Goursot, Annick; Seifert, G.; Weber, Jacques 2001