Heats of formation of hydrofluorocarbons obtained by Gaussian-3 and related quantum chemical computations

Journal of Physical Chemistry A

Volumn 104, Issue 32, 2000, Pages 7600-7611

  Haworth, Naomi L ^a   Smith, Michael H ^a   Bacskay, George B ^a   Mackie, John C ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; FLAME RETARDANTS; FLUOROCARBONS; FREE RADICALS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OXIDATION; QUANTUM THEORY; REACTION KINETICS; THERMODYNAMIC PROPERTIES;

CORE VALENCE CORRELATION; COUPLED CLUSTER METHOD; FLUOROACETYLENE; HEATS OF FORMATION; HEXAFLUOROPROPENE RADICAL; HEXAFLUOROPROPYL RADICAL; ISODESMIC REACTION; SCALAR RELATIVISTIC EFFECT;

MOLECULAR DYNAMICS;

EID: 0034245696     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000475c     Document Type: Article

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