Heats of formation of alkali metal and alkaline earth metal oxides and hydroxides: Surprisingly demanding targets for high-level ab initio procedures

Journal of Physical Chemistry A

Volumn 107, Issue 29, 2003, Pages 5617-5630

  Sullivan, Michael B ^a   Iron, Mark A ^b   Redfern, Paul C ^c   Martin, Jan M L ^b   Curtiss, Larry A ^c   Radom, Leo ^a,d  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^c ARGONNE NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINE EARTH METAL COMPOUNDS; CHEMICAL BONDS; CORRELATION METHODS; ELECTRON ENERGY LEVELS; EXTRAPOLATION; MOLECULAR DYNAMICS;

VALENCE BASIS SETS;

ALKALI METAL COMPOUNDS;

EID: 0042173143     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034851f     Document Type: Article

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