A theoretical study of the conversion of gas phase methanediol to formaldehyde

Journal of Chemical Physics

Volumn 119, Issue 10, 2003, Pages 5117-5120

  Kent IV, David R ^a   Widicus, Susanna L ^b   Blake, Geoffrey A ^b,c   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b California Institute of Technology   (United States)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; DECOMPOSITION; FORMALDEHYDE; GLYCOLS; MOLECULAR SPECTROSCOPY; NUMERICAL ANALYSIS; PRESSURE EFFECTS; QUANTUM THEORY; REACTION KINETICS; THERMAL EFFECTS; THERMODYNAMIC STABILITY;

GAS PHASE KINETIC STABILITY; METHANEDIOL; QUANTUM MECHANICAL CALCULATION; UNIMOLECULAR DECOMPOSITION;

MOLECULAR DYNAMICS;

EID: 0141704121     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1596392     Document Type: Article

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