A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table

Annual Reports in Computational Chemistry

Volumn 8, Issue , 2012, Pages 1-28

  Dixon, David A ^a   Feller, David ^b   Peterson, Kirk A ^b  

^a UNIVERSITY OF ALABAMA   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

Chemical accuracy; Computational thermochemistry; Correlation consistent basis sets; Coupled cluster theory CCSD(T) ; Electronic structure; Feller Peterson Dixon (FPD) approach

Indexed keywords

EID: 84866508548     PISSN: 15741400     EISSN: None     Source Type: Book Series    
DOI: 10.1016/B978-0-444-59440-2.00001-6     Document Type: Chapter

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