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The electronic and geometric structures of the early transition metal cations MCH+, MCH2+ and MCH3+

✍ Scribed by A.E. Alvardo-Swaisgood; J.F. Harrison


Book ID
119117091
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
609 KB
Volume
169
Category
Article
ISSN
0166-1280

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The electronic structure and properties of the carbonyls TiCO, FeCO, and NiCO in the quintuplet, triplet, and singlet ground states and triplet, quintuplet, and triplet first electronic excited states, respectively, were studied using density functional Ε½ . Ε½ . theory DFT methods. The ADF program ve