Communication: Some critical features of the potential energy surface for the Cl + H2O → HCl + OH forward and reverse reactions

Journal of Chemical Physics

Volumn 139, Issue 4, 2013, Pages

  Guo, Yundong ^a   Zhang, Meiling ^b   Xie, Yaoming ^c   Schaefer III, Henry F ^c  

^a NEIJIANG NORMAL UNIVERSITY   (China)

^b TIANJIN MEDICAL UNIVERSITY   (China)

^c UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARRIER HEIGHTS; CORRELATION CONSISTENT BASIS SETS; CRITICAL FEATURES; ENDOTHERMIC REACTIONS; REVERSE REACTIONS; STATIONARY POINTS; TRANSITION STATE; ZERO-POINT VIBRATIONAL ENERGIES;

ATMOSPHERIC CHEMISTRY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

CHLORINE COMPOUNDS;

CHLORINE; HYDROCHLORIC ACID; WATER;

CHEMISTRY; QUANTUM THEORY; VIBRATION; ARTICLE;

CHLORINE; HYDROCHLORIC ACID; QUANTUM THEORY; VIBRATION; WATER;

EID: 84881653371     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4816278     Document Type: Article

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