Addition/Correction pubs.acs.org/JPCB
Correction to “Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions” Kayo Suda and Daisuke Yokogawa* J. Phys. Chem. B 2017, 121 (9), 2164−2170. DOI: 10.1021/acs.jpcb.6b11654 In Figure 3, we copied the wrong molecular orbitals (MO40) in the gas phase and cyclohexane at the T1 state by mistake. Here we correct them. This erratum does not affect any conclusions reported in the paper.
Figure 3. MOs of DMABN in S1 and T1 states at 90° in acetonitrile, the gas phase, and cyclohexane. In the case of the S1 state, NOs are shown, and the occupation numbers of the NOs are given in parentheses. For the T1 state, the β orbital, where the electron is removed (MO39), and the α orbital, where the electron enters (MO40), are shown.
© XXXX American Chemical Society
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DOI: 10.1021/acs.jpcb.7b02199 J. Phys. Chem. B XXXX, XXX, XXX−XXX
