Ab initio and DFT-based assignment of the vibrational spectra of polymerized fullerenes

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 12, Issue 1-2, 2005, Pages 253-258

  Senyavin, Vladimir M ^a   Popov, Alexey A ^a   Granovsky, Alex A ^a   Davydov, Valery A ^b   Agafonov, Vyacheslav N ^c  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b INSTITUTE FOR HIGH PRESSURE PHYSICS   (Russian Federation)

^c UNIVERSITÉ DE TOURS   (France)

Author keywords

DFT; Fullerenes; Polymers; Vibrational spectra

Indexed keywords

CALCULATIONS; CHEMICAL ANALYSIS; FULLERENES; QUANTUM CHEMISTRY; VIBRATIONAL SPECTRA;

AB INITIO AND DFT; HIGH LEVEL QUANTUM CHEMICAL METHODS; QUANTUM CHEMICAL CALCULATIONS; VIBRATIONAL PROPERTIES;

POLYMERS;

EID: 84959900177     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1081/FST-120027165     Document Type: Conference Paper

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