Theoretical study of formamide decomposition pathways

Journal of Physical Chemistry A

Volumn 115, Issue 5, 2011, Pages 841-851

  Nguyen, Vinh Son ^a   Abbott, Heather L ^b   Dawley, M Michele ^b   Orlando, Thomas M ^b   Leszczynski, Jerzy ^c   Nguyen, Minh Tho ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBENES; CCSD; CHEMICAL TRANSFORMATIONS; COMPLETE BASIS SET LIMIT; COUPLED-CLUSTER THEORY; DECOMPOSITION PATHWAY; DEHYDRATION PROCESS; FORMAMIDES; LOW-TEMPERATURE REGIME; MULTISTEP PROCESS; ONE-STEP PROCESS; PREBIOTICS; QUANTUM CHEMICAL CALCULATIONS; RATE LIMITING; RRKM THEORY; SMALL MOLECULES; STRUCTURE COMPUTATION; THEORETICAL STUDY; TWO-STEP PROCESS;

AMIDES; CARBOXYLATION; DEWATERING; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY;

DEHYDRATION;

FORMAMIDE; FORMAMIDE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DECARBOXYLATION; DEHYDRATION; ISOMERISM; QUANTUM THEORY; THEORETICAL MODEL; THERMODYNAMICS;

COMPUTER SIMULATION; DECARBOXYLATION; DEHYDRATION; FORMAMIDES; ISOMERISM; MODELS, CHEMICAL; MODELS, THEORETICAL; QUANTUM THEORY; THERMODYNAMICS;

EID: 79851472027     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp109143j     Document Type: Article

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