Applications of the PM3 semi-empirical method to the study of triethylenediamine

Journal of Molecular Graphics and Modelling

Volumn 15, Issue 2, 1997, Pages 82-90

  Mancuso, J ^a   McEachern, R J ^a  

^a ATOMIC ENERGY OF CANADA LIMITED   (Canada)

Author keywords

Enthalpy; Iodomethane; Molecular modeling; Semi empirical PM3; TEDA; Triethylenediamine

Indexed keywords

1,4 DIAZABICYCLO[2.2.2]OCTANE; AMMONIA; METHYL IODIDE; NITROGEN;

ANALYTIC METHOD; ARTICLE; CHEMICAL REACTION; ENTHALPY; GEOMETRY; MOLECULAR MODEL; MOLECULAR STABILITY; PRIORITY JOURNAL; THERMODYNAMICS;

EID: 0030831759     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(97)00025-9     Document Type: Article

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