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Theoretical Study of the Electronic Structure and of the Mercury-Carbon Bonding of Methylmercury(II) Compounds

✍ Scribed by Barone, Vincenzo; Bencini, Alessandro; Totti, Federico; Uytterhoeven, Myriam G.

Book ID
119950087
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
953 KB
Volume
99
Category
Article
ISSN
0022-3654

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The ground state electronic structures and dissociation energies ofthe dialkali halide cations MtM2X+ (M,, M, = Li, Na; X= F, Cl) have been calculated at the HF and post-HF (MPn) levels using a variety of basis sets. The calculated values are in good agreement with the corresponding experimental dat