Optimized prediction of 13C NMR spectra
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Lingran Chen; Wolfgang Robien
📂
Article
📅
1993
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Elsevier Science
🌐
English
⚖ 524 KB
A novel approach for the predlctlon of the 13C NMR spectrum of a given structure using a new algonthm of Increment cdculatlon [optlmlzed predlctlon of spectra usmg Increments (OPSI)] 1s presented The algorithm IS based on substructure search strateues starting from the parent nng system and takmg mt