Theoretical Calculations on the Hydrogen Elimination of Ethene with Chemical Accuracy

Publication year: 2011 Source: Computational and Theoretical Chemistry, Available online 2 October 2011 Yingbin Ge, T. Cameron Shore The singlet and triplet reaction paths for the H2elimination of ethene are examined using the left-eigenstate completely renormalized coupled cluster singles, doubles, and noniterative triples approach with the cc-pVTZ, cc-pVQZ, and cc-pV5Z basis sets

Publication year: 2011 Source: Computational and Theoretical Chemistry, Available online 2 October 2011 Yingbin Ge, T. Cameron Shore The singlet and triplet reaction paths for the H2elimination of ethene are examined using the left-eigenstate completely renormalized coupled cluster singles, doubles, and noniterative triples approach with the cc-pVTZ, cc-pVQZ, and cc-pV5Z basis sets

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Theoretical Calculations on the Hydrogen Elimination of Ethene with Chemical Accuracy

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