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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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The accuracy of rotational constants predicted by high-level quantum-chemical calculations. I. molecules containing

Cristina Puzzarini1, Miriam Heckert, Jürgen Gauss

  • 1Dipartimento di Chimica G Ciamician, Università degli Studi di Bologna, Via Selmi 2, I-40126 Bologna, Italy. cristina.puzzarini@unibo.it

The Journal of Chemical Physics
|May 27, 2008
PubMed

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