Accurate and efficient method for predicting thermochemistry of furans and ortho-arynes: Expansion of the bond-centered group additivity method

Journal of Physical Chemistry A

Volumn 110, Issue 21, 2006, Pages 6971-6977

  Yu, Joanna ^a,b   Sumathi, Raman ^a,c   Green Jr , William H ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b BASF SE   (Germany)

^c OAKWOOD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND-CENTERED GROUP ADDITIVITY METHOD (BCGA); FURAN; HOMODESMIC REACTIONS; ORTHOARYNES;

ACTIVATION ANALYSIS; CHEMICAL BONDS; ENTHALPY; ENTROPY; MOLECULAR STRUCTURE; REACTION KINETICS;

AROMATIC HYDROCARBONS;

EID: 33745470873     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056357c     Document Type: Article

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