Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Transition-metal clusters nonmagnetic

Magnetic-Nonmagnetic Transition in fee 4d-Transition-Metal Clusters. [Pg.248]

Of the family of nonmagnetic transition metals, niobium clusters are those for which most theoretical investigations have been made, although these were mainly restricted to the structural properties neutral clusters Nb , with n up to 7 (LDA [229]), with n = 8-10 (LDA [230, 231], LDA and B-LYP GC [223]), anionic clusters up to n = 8 (LDA [113]), anionic and cationic clusters with n = 8-10 (LDA and B-LYP GC [223]). Reference [223] (see Appendix C) presents an extensive structural study using CP molecular dynamics as well as local optimization procedures, and is corroborated by electronic and vibrational spectra as well as by an extension to cations and anions, thus allowing comparison... [Pg.123]

See other pages where Transition-metal clusters nonmagnetic is mentioned: [Pg.121]    [Pg.121]    [Pg.123]    [Pg.125]    [Pg.121]    [Pg.121]    [Pg.123]    [Pg.125]    [Pg.2396]    [Pg.236]    [Pg.2396]    [Pg.116]    [Pg.215]    [Pg.50]    [Pg.247]    [Pg.204]    [Pg.158]    [Pg.115]    [Pg.245]    [Pg.1004]    [Pg.319]    [Pg.240]   


SEARCH



Noble and Nonmagnetic Transition-Metal Clusters

Transition metal clusters

© 2024 chempedia.info