Computing the relative gas-phase populations of C60 and C70: Beyond the traditional ΔHf,298o scale

Journal of Molecular Graphics and Modelling

Volumn 19, Issue 2, 2001, Pages 216-221

  Slanina, Zdeněk ^a   Zhao, Xiang ^a   Kurita, Noriyuki ^a   Gotoh, Hitoshi ^a   Uhlík, Filip ^b   Rudziński, Jerzy M ^c   Lee, Kee Hag ^d   Adamowicz, Ludwik ^e  

^a Labs Compl Chem Fullerene Sci   (Japan)

^b CHARLES UNIVERSITY   (Czech Republic)

^c Palac Pugetów   (Poland)

^d Wonkwang University   (South Korea)

^e University of Arizona   (United States)

Author keywords

Gibbs function; Relative heats of formation; Relative populations of fullerenes; Semiempirical methods; Stability measures

Indexed keywords

CARBON; FULLERENES; HIGH TEMPERATURE EFFECTS; PRESSURE EFFECTS; SYNTHESIS (CHEMICAL); THERMODYNAMICS; VAPORS;

GAS-PHASE POPULATION;

MOLECULAR GRAPHICS;

CARBON; FULLERENE DERIVATIVE;

ARTICLE; CALCULATION; KINETICS; PHYSICAL PHASE; PRESSURE; PRIORITY JOURNAL; QUANTUM CHEMISTRY; SYNTHESIS; TECHNIQUE; TEMPERATURE; THERMODYNAMICS; VAPOR;

CARBON; FULLERENES; MATHEMATICAL COMPUTING; MODELS, MOLECULAR; TEMPERATURE; THERMODYNAMICS;

EID: 0035020745     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00113-3     Document Type: Article

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