Computational synthesis of C 60 cyano- and azopolyderivatives

Journal of Molecular Modeling

Volumn 18, Issue 4, 2012, Pages 1409-1420

  Sheka, Elena F ^a  

^a PEOPLES FRIENDSHIP UNIVERSITY OF RUSSIA   (Russian Federation)

Author keywords

Atom chemical susceptibility; C 60 chlorides; C 60 fulleroaziridines; Computational synthesis; Cyano and hydrocyano C 60 fullerenes; Quantum chemistry; Unrestricted broken symmetry approach

Indexed keywords

AZIRIDINE DERIVATIVE; CHLORIDE; FLUORIDE; FULLERENE DERIVATIVE; HYDROGEN CYANIDE; PROTON;

ARTICLE; ATOM; AZIRIDINATION; CHEMICAL COMPOSITION; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CHLORINATION; CONDUCTANCE; CONTROLLED STUDY; CYANATION; ELECTRON; FLUORINATION; HYDROGENATION; ISOMER; PRIORITY JOURNAL; STEREOCHEMISTRY;

AZIRIDINES; CARBON; CHLORIDES; COMPUTER SIMULATION; CYANIDES; FULLERENES; HALOGENATION; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITRILES; QUANTUM THEORY;

EID: 84861234166     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1158-5     Document Type: Article

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