A quantum chemical calculation of the potential energy surface in the formation of HOSO2 from OH + SO2

Atmospheric Environment

Volumn 45, Issue 3, 2011, Pages 745-754

  Sitha, Sanyasi ^a   Jewell, Linda L ^a   Piketh, Stuart J ^b   Fourie, Gerhard ^c  

^a UNIVERSITY OF THE WITWATERSRAND   (South Africa)

^b UNIVERSITY OF THE WITWATERSRAND   (South Africa)

^c SASOL TECHNOLOGY PTY LTD   (South Africa)

Author keywords

Atmospheric H2SO4 formation; HOSO2; Quantum chemical calculations; SO2

Indexed keywords

BARRIER HEIGHTS; BASIS SETS; DISPLACEMENT VECTORS; ENERGY CORRECTION; ENTHALPY OF REACTION; EXPERIMENTAL VALUES; HOSO2; PRODUCT MOLECULES; QUANTUM CHEMICAL CALCULATIONS; S-O BONDS; SO2; STRUCTURAL POINT; TRANSITION STATE; TRANSITION STATE STRUCTURE; TWIST ANGLES;

QUANTUM CHEMISTRY; RATE CONSTANTS;

ATMOSPHERIC CHEMISTRY;

HYDROXIDE; SULFUR DIOXIDE; SULFURIC ACID;

ATMOSPHERIC CHEMISTRY; ENERGETICS; ENTHALPY; HYDROXYL RADICAL; POTENTIAL ENERGY; SULFATE; SULFUR DIOXIDE; VECTOR;

ACID RAIN; ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY TRANSFER; ENTHALPY; HUMAN; PRIORITY JOURNAL; QUANTUM CHEMISTRY;

EID: 78751579139     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2010.09.018     Document Type: Article

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