Systematic study of the quality of various quantum similarity descriptors. Use of the autocorrelation function and principal component analysis

Journal of Physical Chemistry A

Volumn 105, Issue 38, 2001, Pages 8805-8814

  Boon, Greet ^a   Langenaeker, Wilfried ^b   De Proft, Frank ^a   De Winter, Hans ^b   Tollenaere, Jan P ^b   Geerlings, Paul ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^b JANSSEN RESEARCH FOUNDATION   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR ORIENTATION; MOLECULES; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY;

QUANTUM SIMILARITY DESCRIPTORS;

POLYPEPTIDES;

EID: 0035960239     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011441n     Document Type: Article

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