Study of stability and thermodynamic properties for polychlorinated dihydrophezines by density functional theory

Canadian Journal of Chemical Engineering

Volumn 87, Issue 4, 2009, Pages 572-578

  Liu, Hong X ^a   Yang, Guo Y ^a   Wang, Zun Y ^a   Wang, Lian S ^b  

^a JIAXING UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

DFT; Method of NPCS; Polychlorinated dihydrophazinezs; Relative stability; Thermodynamic parameters

Indexed keywords

DFT; METHOD OF NPCS; POLYCHLORINATED DIHYDROPHAZINEZS; RELATIVE STABILITY; THERMODYNAMIC PARAMETERS;

CHLORINE; FREE ENERGY; PROBABILITY DENSITY FUNCTION; SPECIFIC HEAT; STABILITY; THERMODYNAMIC STABILITY; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 68649106414     PISSN: 00084034     EISSN: None     Source Type: Journal    
DOI: 10.1002/cjce.20187     Document Type: Article

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