Prediction of physicochemical properties of organic molecules using semi-empirical methods

Bulletin of the Korean Chemical Society

Volumn 34, Issue 4, 2013, Pages 1043-1046

  Kim, Chan Kyung ^a   Cho, Soo Gyeong ^b   Kim, Chang Kon ^a   Kim, Mi Ri ^a   Lee, Hai Whang ^a  

^a Inha University   (South Korea)

^b Agency for Defence Development   (South Korea)

Author keywords

MSEP method; Organic molecules; Prediction of physicochemical properties; Root mean square deviation; Semi empirical methods

Indexed keywords

MSEP METHOD; ORGANIC MOLECULES; PHYSICOCHEMICAL PROPERTY; ROOT-MEAN SQUARE DEVIATION; SEMI-EMPIRICAL METHODS;

DENSITY FUNCTIONAL THEORY; FORECASTING; GEOMETRY; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

MOLECULES;

EID: 84877759735     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2013.34.4.1043     Document Type: Article

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