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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Performance of block correlated coupled cluster method with the CASSCF reference function for the prediction of

Jun Shen1, Tao Fang, Shuhua Li

  • 1School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing, 210093, PR China.

The Journal of Physical Chemistry. A
|November 14, 2008
PubMed

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