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Publikováno v:
ETSU Faculty Works.
Contrary to previous ab initio and semi-empirical studies, density functional theory and high level ab initio calculations predict that the ground state of NiH2 is a bent singlet state. The linear triplet 3Δg state, predicted as the ground state by
Externí odkaz:
https://dc.etsu.edu/etsu-works/11871
Autor:
BARRON, Joshua R.
Publikováno v:
Theological Research Exchange Network (TREN): Theses & Dissertations. 2000, p1-131. 131p.