The ~X1A1 and ~a3B2 states of o-benzyne: a theoretical characterization of equilibrium geometries, harmonic vibrational frequencies, and the singlet-triplet energy gap
- 1 April 1989
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 111 (9) , 3118-3124
- https://doi.org/10.1021/ja00191a002
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