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with application of the basis set def2-TZVP as implemented in TURBOMOLE 6.0
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The natures of these van der Waals complexes were further investigated by optimizations with Grimme's recently developed B97-D DFT functional (S. Grimme, J. Comp. Chem. 2006, 27, 1787) with application of the basis set def2-TZVP as implemented in TURBOMOLE 6.0
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The results obtained are in good agreement with the SCS-MP2 values reported in the text, underlining the excellent suitability of both the SCS-MP2 the and DFT-D approach, for investigations of weakly bound complexes
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see also: http://wwu.turbomole.com) The results obtained are in good agreement with the SCS-MP2 values reported in the text, underlining the excellent suitability of both the SCS-MP2 the and DFT-D approach, for investigations of weakly bound complexes.
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