Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital Framework

TitleMolecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital Framework
Publication TypeJournal Article
Year of Publication2019
AuthorsCulpitt, T, Yang, Y, Schneider, PE, Pavošević, F, Hammes-Schiffer, S
JournalJournal of Chemical Theory and Computation
Volume15
Pagination6840-6849
Date PublishedDec
ISBN Number1549-9618
DOI10.1021/acs.jctc.9b00665