Published 1990
| Version v1
Book
Ab Initio quality of S.C.-MEH-M.O. calculations of complex inorganic systems
Description
The utility of the S.C.-MEH-M.O. method and the success of its applications to select inorganic systems is reviewed and discussed. Specific emphasis is placed on the results obtained for extended clusters of (1) YBa2Cu3O7(1) (high Tc superconductor), (2) Pt2(P2O5H2)44- (2), (3) (Pt2(μC double-bond CHPh)(C triple-bond CPh)(PEt3)3)+(3), (4) HCo(CO)4(4)
Additional details
Publishing Information
- Publisher
- American Chemical Society.
- Imprint Place
- Washington, DC (USA)
- Imprint Title
- 42nd Southeast/46th Southwest Combined Regional Meeting of the American Chemical Society
- Imprint Pagination
- 276 p.
- Journal Page Range
- p. 198, Paper Physical Chemistry 503.
Conference
- Title
- 42. Southeast and 46. Southwest combined regional meeting of the American Chemical Society (ACS).
- Dates
- 5-7 Dec 1990.
- Place
- New Orleans, LA (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 22054880
- Subject category
- S36: MATERIALS SCIENCE; S36: MATERIALS SCIENCE; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference, Numerical Data
- Descriptors DEI
- BARIUM OXIDES; CHEMICAL BONDS; COBALT COMPLEXES; COPPER OXIDES; ELECTRONIC STRUCTURE; HIGH-TC SUPERCONDUCTORS; INORGANIC COMPOUNDS; MOLECULAR ORBITAL METHOD; PLATINUM COMPLEXES; THEORETICAL DATA; YTTRIUM OXIDES
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; BARIUM COMPOUNDS; CHALCOGENIDES; COMPLEXES; COPPER COMPOUNDS; DATA; INFORMATION; NUMERICAL DATA; OXIDES; OXYGEN COMPOUNDS; SUPERCONDUCTORS; TRANSITION ELEMENT COMPLEXES; TRANSITION ELEMENT COMPOUNDS; YTTRIUM COMPOUNDS
Optional Information
- Secondary number(s)
- CONF-901265--.