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Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional

Igor Ying Zhang1, Jianming Wu, Yi Luo

  • 1State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.

Journal of Computational Chemistry
|April 2, 2011
PubMed

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