Quantum chemical calculation of vibrational spectra of large molecules - Raman and IR spectra for Buckminsterfullerene

Johannes Neugebauer, Markus Reiher, Carsten Kind, Bernd A. Hess. Quantum chemical calculation of vibrational spectra of large molecules - Raman and IR spectra for Buckminsterfullerene. Journal of Computational Chemistry, 23(9):895-910, 2002. [doi]

Abstract

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