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Vibrational computations beyond the harmonic approximation: performances of the B3LYP density functional for

Philippe Carbonniere1, Tecla Lucca, Claude Pouchan

  • 1Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte Sant'Angelo, Via Cintia, I-80126 Napoli, Italy.

Journal of Computational Chemistry
|January 15, 2005
PubMed

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