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Direct relativistic MP2: properties of ground state CuF, AgF and AuF

✍ Scribed by Jon K. Laerdahl; Trond Saue; Knut Faegri Jr.

Book ID
105887026
Publisher
Springer
Year
1997
Tongue
English
Weight
543 KB
Volume
97
Category
Article
ISSN
1432-2234

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The effects of relativity on the bond lengths, vibrational frequencies, dissociation energies, and dipole moments of the ground states of the group IB hydrides Ε½ . MH, chlorides MCl, and dimers M M s Cu, Ag, and Au have been studied by 2 Ε½ . relativistic density functional theory DFT with the B88 pl