Direct dynamics study on the reaction of acetaldehyde with ozone

Journal of Computational Chemistry

Volumn 29, Issue 2, 2008, Pages 247-255

  Yang, Jing ^a   Li, Qian Shu ^b,c   Zhang, Shaowen ^c  

^a TANGSHAN TEACHERS COLLEGE   (China)

^b SOUTH CHINA NORMAL UNIVERSITY   (China)

^c BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Ab initio; Acetaldehyde; Ozone; Rate constant

Indexed keywords

ALDEHYDES; MOLECULAR STRUCTURE; RATE CONSTANTS; REACTION KINETICS; VIBRATIONAL SPECTRA;

AB INITIO; HARMONIC VIBRATIONAL FREQUENCIES; HYDROGEN ABSTRACTION REACTIONS; SINGLE-POINT ENERGY CALCULATIONS;

OZONE;

ACETALDEHYDE; OZONE;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; KINETICS; QUANTUM THEORY; THERMODYNAMICS;

ACETALDEHYDE; ALGORITHMS; COMPUTER SIMULATION; KINETICS; MOLECULAR CONFORMATION; OZONE; QUANTUM THEORY; THERMODYNAMICS;

EID: 37649005000     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20783     Document Type: Article

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