Molecular structure and decomposition mechanism of peracetic acid esters AcOOR (R = Me, But)

Russian Chemical Bulletin

Volumn 53, Issue 10, 2004, Pages 2109-2116

  Khursan, S L ^a   Antonovsky, V L ^b  

^a Science and Education Center of Bashkir People History Ufa University of Science and Technology   (Russian Federation)

^b SEMENOV INSTITUTE OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

ab initio quantum chemical calculations; Conformational analysis; Methyl peroxy acetate; Molecular structure; Quantum chemical calculations; tert butyl peroxy acetate; Thermochemistry

Indexed keywords

ESTER DERIVATIVE; METHYLPEROXYACETATE; PERACETIC ACID; TERT BUTYLPEROXYACETATE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATION; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ENTHALPY; REACTION ANALYSIS; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; THERMAL ANALYSIS;

EID: 21644444717     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11172-005-0081-2     Document Type: Article

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