ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
Spin-polarized LSD calculations for MoO, both all-electron and model core potential, are reported and compared with the recent spectroscopic data. The properties of the 5Π ground state and four quintet excited states are evaluated, their agreement with the experiment was found to be quite satisfactory. One of the states, 5Σ-, is approached theoretically for the first time. © 1992 John Wiley & Sons, Inc.
Zusätzliches Material:
4 Tab.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560440834