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Assessment of CCSD(T)-F12 Approximations and Basis Sets for Harmonic Vibrational Frequencies

Jan M L Martin1, Manoj K Kesharwani1

  • 1Department of Organic Chemistry, Weizmann Institute of Science , 76100 Reh̲ovot, Israel.

Journal of Chemical Theory and Computation
|November 19, 2015
PubMed

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