Quantum chemical conformational analysis on isotactic polyacrylonitrile using molecular model compounds

Polymer Journal

Volumn 28, Issue 2, 1996, Pages 99-105

  Hisatani, Kunio ^a   Okajima, Kunihiko ^a   Kamide, Kenji ^b  

^a ASAHI CHEMICAL INDUSTRY CO   (Japan)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

Complete neglect of differential overlap 2 (CNDO 2) ; Conformational analysis; Model compounds; Modified intermediate neglect of differential overlap 3 (MINDO 3); Polyacrylonitrile

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUMERICAL METHODS; QUANTUM THEORY;

DIMERS; ISOTACTICITY; MOLECULAR ORBITAL INTERACTIONS; QUANTUM CHEMICAL CONFORMATIONAL ANALYSIS;

POLYACRYLONITRILES;

EID: 0029752369     PISSN: 00323896     EISSN: None     Source Type: Journal    
DOI: 10.1295/polymj.28.99     Document Type: Article

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