Published 1993
| Version v1
Book
Ab initio electronic structure calculations on dodecahedral clusters of twenty water molecules and their gas-phase clathrates with alkali metal cations
Creators
- 1. Florida State Univ., Tallahassee, FL (United States). Dept. of Chemistry and Supercomputer Computations Research Inst.
Description
The results of ab initio quantum mechanical computer calculations on two isomers of the cluster consisting of 20 water molecules as well as the ions comprised of it and lithium and sodium ions are here reported. 12 refs, 4 figs, 3 tabs
Additional details
Publishing Information
- Publisher
- World Scientific.
- Imprint Place
- Singapore (Singapore)
- ISBN
- 981-02-1084-1
- Imprint Title
- Clusters and fullerenes
- Imprint Pagination
- 469 p.
- Journal Page Range
- p. 103-109.
Conference
- Title
- Adriatico research conference on clusters and fullerenes.
- Dates
- 23-26 Jun 1992.
- Place
- Trieste (Italy).
INIS
- Country of Publication
- Singapore
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 24055668
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Resource subtype / Literary indicator
- Conference, Numerical Data
- Descriptors DEI
- ALKALI METALS; ATOMIC CLUSTERS; CATIONS; CLATHRATES; COMPUTER CALCULATIONS; ELECTRONIC STRUCTURE; THEORETICAL DATA; WATER
- Descriptors DEC
- CHARGED PARTICLES; DATA; ELEMENTS; HYDROGEN COMPOUNDS; INFORMATION; IONS; METALS; NUMERICAL DATA; OXYGEN COMPOUNDS
Optional Information
- Contract/Grant/Project number
- Grant CHE-9015566; PRF-25076-G6