Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: a molecular tale of two cities

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Authors: Riccardo Conte; Chiara Aieta; Giacomo Botti; Marco Cazzaniga; Michele Gandolfi; Cecilia Lanzi; Giacomo Mandelli; Davide Moscato; Michele Ceotto

Journal title: Theoretical Chemistry Accounts

Journal publisher: Springer

Published year: 2023

DOI identifier: 10.1007/s00214-023-02993-y

ISSN: 1432-2234