Investigation of the counterpoise contri
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S. Ferchiou; C. Giessner-Prettre
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Article
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1983
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Elsevier Science
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English
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The contribution of basisset extension to the calculated chemiulkift variation due to inr~rmolecular interaction is investigated for water and methane dimers and for the water-proton system. The results show that for protons the error due to the fiite size of the basis set is small enough to be negl