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Heats of formation of alkali and alkaline earth oxides and hydroxides: some dramatic failures of the G2 method

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Date

1999

Authors

Schulz, Axel
Smith, Barton L
Radom, Leo

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

High-level ab initio calculations with a variety of G2-based methods have been used to determine the structures and heats of formation of the alkali and alkaline earth oxides and hydroxides (M2O, MOH with M = Li, Na, and K; M′O, M′(OH)2 with M′ = Be

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Keywords

Citation

URI

http://hdl.handle.net/1885/93829

Collections

ANU Research Publications

Source

Journal of Physical Chemistry A

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

Restricted until

2037-12-31

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