Theoretical study of acid-catalyzed hydrolysis of epoxides

Journal of Physical Chemistry A

Volumn 114, Issue 15, 2010, Pages 5187-5194

  Muniz Filho, Raimundo Clecio Dantas ^a   Sousa, Samuel Anderson Alves De ^a   Pereira, Flávia Da Silva ^a   Ferreira, Márcia Miguel Castro ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ACID-CATALYZED HYDROLYSIS; BOND-BREAKING; CARBOCATIONS; CHEMOMETRIC TOOLS; GASPHASE; GEOMETRY OPTIMIZATION; HIERARCHICAL CLUSTER ANALYSIS; HYDROGEN-BOND FORMATION; INTRINSIC REACTION COORDINATE; NUCLEOPHILIC ATTACK; OXIRANES; PROPYLENE OXIDE; PROTONATED; SOLVATION EFFECT; STERIC HINDRANCES; THEORETICAL STUDY; THERMODYNAMIC CALCULATIONS; VIBRATIONAL FREQUENCIES; WATER MOLECULE;

ACIDS; ALDEHYDES; CLUSTER ANALYSIS; DATA HANDLING; HYDROGEN BONDS; HYDROLYSIS; PROPYLENE; REACTION KINETICS;

PRINCIPAL COMPONENT ANALYSIS;

EID: 77951111812     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp9106316     Document Type: Article

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