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Updated: Mar 29, 2026

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On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic Approximation

Chiara Cappelli1, Susanna Monti1, Giovanni Scalmani1

  • 1Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, I-56126 Pisa, Italy, Istituto per i Processi Chimico-Fisici del Consiglio Nazionale delle Ricerche, via Moruzzi,1 I-56124 Pisa, Italy, Gaussian, Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492, and Scuola Normale Superiore, Piazza dei Cavalieri, 7 I-56126 Pisa, Italy.

Journal of Chemical Theory and Computation
|December 1, 2015
PubMed

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