The high-spin electronic ground states of MC0 and MCS molecules, where M =Y, Zr, Nb, MO, were calculated with ab initio method. Relativistic small-core Hartree-Fock pseudopotentials were used for the metal atoms, and flexible basis sets were used for all the atoms. Single and double configuration in
β¦ LIBER β¦
High-spin chemical bonding of metal monocarbonothioyl and -carbonyl [MCS and MCO] (M = Sc, Ti, V, Cr, Cu)
β Scribed by Jeung, G. H.
- Book ID
- 126771615
- Publisher
- American Chemical Society
- Year
- 1992
- Tongue
- English
- Weight
- 440 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab initio study of high-spin chemical bo
β
Gwang-Hi Jeung
π
Article
π
1994
π
Elsevier Science
π
English
β 388 KB
Theoretical studies of transition-metal
β
Schilling, J. Bruce.; Goddard, William A.; Beauchamp, J. L.
π
Article
π
1986
π
American Chemical Society
π
English
β 362 KB
Electronic structure and bonding of the
β
Tzeli, Demeter; Mavridis, Aristides
π
Article
π
2008
π
American Institute of Physics
π
English
β 598 KB
Estimation of the Chemical Transport Beh
β
Dr. rer. nat. R. Krausze; Prof. Dr. sc. G. Krabbes; M. Khristov
π
Article
π
1991
π
John Wiley and Sons
π
English
β 347 KB
Zentralinstitut fur Festkorperphysik und Werkstofforschung, Dresden, and Institute of General and Inorganic Chemistry, Sofia Estimation of the Chemical Transport Behaviour of Transition Metal Silicides MeSi, (Me = Cr, Ti, V, Mo, Fe, Mn) with X, (X = C1, Br, I) Chemical vapour transport of transitio
Structure and Bonding in a Series of Neu
β
Chaquin, Patrick; Costa, Dominique; Lepetit, Christine; Che, Michel
π
Article
π
2001
π
American Chemical Society
π
English
β 97 KB