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Electronic Structures of MoF 6 and MoOF 4 in the Ground and Excited States: A SAC-CI and Frozen-Orbital-Analysis Study

✍ Scribed by Nakai, Hiromi; Morita, Hiroshi; Tomasello, Pasquale; Nakatsuji, Hiroshi


Book ID
126394157
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
159 KB
Volume
102
Category
Article
ISSN
1089-5639

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The structure and energetics of the C H и I complex have been studied 6 6 2 1 1.55 eV difference between the vertical and adiabatic excitation energies of 4 AЈ and the dramatic geometry change in the CT state.