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Approximate Inclusion of Triple Excitations in Combined Coupled Cluster/Molecular Mechanics: Calculations of Electronic Excitation Energies in Solution for Acrolein, Water, Formamide, and N-Methylacetamide

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Description scientific article published on 01 March 2010
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author: Ove Christiansen  Eduard Matito  Jacob Kongsted 

Publication date March 1, 2010
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