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Publications - Page 44 of 564 - SETARAM Instrumentation

A stabilizing enthalpic effect of (12.9 ± 4.9) kJ mol?1 associated with the intramolecular ?–? interaction in DBK was found. The gas phase intramolecular ?? interaction in DBK is in agreement with quantum chemical calculations at B3LYP/6-311++G(d,p) and MP2 with various basis-sets.

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