Molecular orbital studies of the bonding in heavy element organometallics
The upgrade to the DECstation 3100 (and other workstations underway) has enabled the use of more sophisticated electronic structure methods. Research were done in the following fields: tris(cyclopentadienyl) actinide complexes; actinide-containing molecules with metal-metal bonds (U dimer, Th-Ru, Zr-Ru); and applications of fully relativistic DV-X[alpha] method to trivalent actinide chemistry (MCl[sub 3]).
- Research Organization:
- Ohio State Univ., Columbus, OH (United States). Dept. of Chemistry
- Sponsoring Organization:
- DOE; USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG02-86ER13529
- OSTI ID:
- 6905370
- Report Number(s):
- DOE/ER/13529-7; ON: DE93005291
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
664100 -- Theory of Electronic Structure of Atoms & Molecules-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ACTINIDE COMPLEXES
ACTINIDES
ALKENES
ATOMIC CLUSTERS
CALCULATION METHODS
CHEMICAL BONDS
COMPLEXES
CYCLOALKENES
CYCLOPENTADIENE
DIENES
DIMERS
DOCUMENT TYPES
ELECTRONIC STRUCTURE
ELEMENTS
HYDROCARBONS
LIGANDS
METALS
MOLECULAR ORBITAL METHOD
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
POLYENES
PROGRESS REPORT
TRANSITION ELEMENT COMPLEXES
URANIUM
URANIUM COMPLEXES
400201* -- Chemical & Physicochemical Properties
664100 -- Theory of Electronic Structure of Atoms & Molecules-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ACTINIDE COMPLEXES
ACTINIDES
ALKENES
ATOMIC CLUSTERS
CALCULATION METHODS
CHEMICAL BONDS
COMPLEXES
CYCLOALKENES
CYCLOPENTADIENE
DIENES
DIMERS
DOCUMENT TYPES
ELECTRONIC STRUCTURE
ELEMENTS
HYDROCARBONS
LIGANDS
METALS
MOLECULAR ORBITAL METHOD
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
POLYENES
PROGRESS REPORT
TRANSITION ELEMENT COMPLEXES
URANIUM
URANIUM COMPLEXES