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Ground and Low-Lying Excited Electronic States of Difluorodiazirine †

✍ Scribed by Pandey, Rajeev R.; Khait, Yuriy G.; Hoffmann, Mark R.

Book ID
126435459
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
77 KB
Volume
108
Category
Article
ISSN
1089-5639

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The ground and low-lying excited states
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✍ Charles W. Bauschlicher Jr. 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 343 KB

The ground state and low-lying states of MgH: are studied at the complete-active-space self-consistent-field and multireference configuration-interaction levels of theory. The binding energies of the \*I& and 2B2 states (relative to their asymptote) are significantly larger than that of the \*A, gro