Vibrational mode analysis on mechanism of the catalyzed thermal decomposition of formic acid

Journal of Molecular Structure: THEOCHEM

Volumn 682, Issue 1-3, 2004, Pages 1-7

  Zhouo, Zhengyu ^a,b   Shi, Yun ^a   Zhang, Haitao ^a   Zhou, Xinming ^a   Fu, Hui ^a  

^a QUFU NORMAL UNIVERSITY   (China)

^b State Key Lab Crystal Mat S   (China)

Author keywords

DFT theory; Vibrational frequency; Vibrational mode

Indexed keywords

FORMIC ACID;

ARTICLE; CATALYSIS; CATALYST; CORRELATION ANALYSIS; DECOMPOSITION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PHASE TRANSITION; PYROLYSIS; REACTION ANALYSIS; REACTION OPTIMIZATION; RELIABILITY; THERMODYNAMICS; VIBRATION;

EID: 4344610092     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.03.043     Document Type: Article

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