Theoretical investigation of the isomerization of trans -HCOH to H 2CO: An example of a water-catalyzed reaction

Journal of Physical Chemistry A

Volumn 115, Issue 32, 2011, Pages 8983-8989

  Peters, Phillip S ^a,b   Duflot, Denis ^a   Faure, Alexandre ^b   Kahane, Claudine ^b   Ceccarelli, Cecilia ^b   Wiesenfeld, Laurent ^b   Toubin, Céline ^a  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b UNIV GRENOBLE ALPES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ATOMS; ISOMERIZATION; ISOMERS; MOLECULES;

CATALYZED REACTIONS; DENSITY FUNCTIONAL THEORY METHODS; HYDROGEN-ATOM TRANSFER; INTERSTELLAR MEDIUMS; MOLECULAR ICES; PRESENCE OF WATER; THEORETICAL INVESTIGATIONS; WATER MOLECULE;

DENSITY FUNCTIONAL THEORY;

EID: 80051753343     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp202052h     Document Type: Article

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