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Highlights of the Recent TURBOMOLE Program Applications
Sub-meV Accuracy in First-principles Computations of Ionization Potentials and Electron Affinities
Phys. Rev. A 81 (2010) 022503
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Combined Experimental and Quantum Chemical Study of Pentagerma[1.1.1]Propellane
Angew. Chem. Int. Ed. 48 (2009) 1411 - 1416
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Snapshot of an Al-Al σ-Bond Formation
Angew. Chem. Int. Ed. 48 (2009) 8141 - 8145
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Ab initio Study of Hydrogen Adsorption in MOF-5
J. Am. Chem. Soc. 131 (2009) 4143 - 4150
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