Thermochemistry of the HOSO radical, a key intermediate in fossil fuel combustion

Journal of Physical Chemistry A

Volumn 113, Issue 24, 2009, Pages 6779-6788

  Wheeler, Steven E ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO COMPUTATIONS; AB INITIO ENERGY; ANHARMONIC; BASIS SETS; BENDING MODES; CCSD; COUPLED-CLUSTER THEORY; ELECTRONIC ENERGIES; ENERGY SEPARATIONS; ENTHALPY OF FORMATION; EXPERIMENTAL DATA; FOSSIL FUEL COMBUSTION; GLOBAL MINIMA; HARMONIC VIBRATIONAL FREQUENCIES; NON-BORN OPPENHEIMER; QUADRUPLE EXCITATIONS; QUASI-PLANAR STRUCTURE; REACTION ENTHALPIES; SCALAR-RELATIVISTIC EFFECTS; TORSIONAL ENERGY SURFACE; TRANSITION STATE; TRIPLE EXCITATION; VIBRATIONAL FREQUENCIES; ZERO-POINT VIBRATIONAL ENERGIES;

COMBUSTION; CORRELATION METHODS; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ENTHALPY; EXTRAPOLATION; FOSSIL FUELS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SULFUR; SURFACE PHENOMENA; THERMOCHEMISTRY;

SET THEORY;

EID: 67049162136     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9029387     Document Type: Article

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