Browsing by Subject "ab-initio"

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  • Jahn, Michaela K.; Mendez, Estibaliz; Nair, K. P. Rajappan; Godfrey, Peter D.; McNaughton, Don; Ecija, Patricia; Basterretxea, Francisco J.; Cocinero, Emilio J.; Grabow, Jens-Uwe (Cambridge : Royal Society of Chemistry, 2015-03-13)
    Succinic acid, a dicarboxylic acid molecule, has been investigated spectroscopically with computational support to elucidate the complex aspects of its conformational composition. Due to the torsional freedom of the carbon ...