Computer-assisted IR spectra prediction - linked similarity searches for structures and spectra

Analytica Chimica Acta

Volumn 348, Issue 1-3, 1997, Pages 327-343

  Baumann, K ^a,b   Clerc, J T ^b  

^a UNIVERSITY OF WÜRZBURG   (Germany)

^b UNIVERSITY OF BERN   (Switzerland)

Author keywords

Data base; Fragment code; Infrared spectrum; Prediction; Structure similarity; Topological code

Indexed keywords

ORGANIC COMPOUND;

ALGORITHM; CALCULATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; DATA BASE; INFRARED SPECTROSCOPY; PREDICTION; PRIORITY JOURNAL;

EID: 0030884948     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(97)00238-9     Document Type: Conference Paper

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