primary N. Jiang M. Melosso L. Bizzocchi S. Alessandrini J.-C. Guillemin L. Dore C. Puzzarini journal J. Phys. Chem. A 2022 126 1881 1888 https://doi.org/10.1021/acs.jpca.2c00831 10.1021/acs.jpca.2c00831 dipole M. Sugie H. Takeo C. Matsumura journal J. Am. Chem. Soc. 1989 111 906 910 https://doi.org/10.1021/ja00185a018 10.1021/ja00185a018 line Jiang et al., 2022 N. Jiang M. Melosso L. Bizzocchi S. Alessandrini J.-C. Guillemin L. Dore C. Puzzarini journal J. Phys. Chem. A 2022 126 1881 1888 https://doi.org/10.1021/acs.jpca.2c00831 10.1021/acs.jpca.2c00831 line Sugie et al., 1989 M. Sugie H. Takeo C. Matsumura journal J. Am. Chem. Soc. 1989 111 906 910 https://doi.org/10.1021/ja00185a018 10.1021/ja00185a018