Mechanism of 4-methyl-1,2,4-triazol-3-thiole reaction with formaldehyde. A DFT study

Journal of Physical Organic Chemistry

Volumn 20, Issue 12, 2007, Pages 1043-1049

  Wujec, Monika ^a   Paneth, Piotr ^b  

^a MEDICAL UNIVERSITY OF LUBLIN   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

1,2,4 triazole; DFT; Tautomerization; Theoretical calculations

Indexed keywords

CHEMICAL BONDS; GIBBS FREE ENERGY; PROBABILITY DENSITY FUNCTION; SOLVENTS; SULFUR;

CYCLIC TRANSITION; TAUTOMERIZATION; THEORETICAL CALCULATIONS;

FORMALDEHYDE;

EID: 84962360236     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1250     Document Type: Article

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