On relative stability reasoning for clusters of different dimensions: an illustration with the C60-C70 system

Keywords

MNDO, Cluster (spacecraft), Thermodynamics, Stability (learning theory), Fullerene

References

• C60: BuckminsterfullereneHarold W. Kroto, J. R. Heath, Sean C. O’Brien — 1985
• Polyhedral carbon ions in hydrocarbon flamesPh. Gerhardt, S. Löffler, K. H. Homann — 1987
• π-Systems in three dimensionsPatrick W. Fowler, J. Woolrich — 1986
• C60(Cg) and C70(g): A computational study of the pressure and temperature dependence of their populationsZdeněk Slanina, Jerzy M. Rudziński, Eiji O̅sawa — 1987
• Reactivity of large carbon clusters: spheroidal carbon shells and their possible relevance to the formation and morphology of sootQ. L. Zhang, Sean C. O’Brien, J. R. Heath — 1986
• Mass Spectrometric Study of Carbon VaporJ. Drowart, Richard P. Burns, G. DeMaria — 1959
• Negative carbon cluster ion beams: New evidence for the special nature of C60Y. Liu, Sean C. O’Brien, Qi Zhang — 1986
• Computational study of relative stabilities of C60(Ih) and C70(D5h) gas-phase clustersJerzy M. Runziński, Zdeněk Slanina, M. Togasi — 1988
• C120 and C60: Archimedean solids constructed from sp2 hybridized carbon atomsA. D. J. Haymet — 1985
• Stability of buckminsterfullerene and related carbon clusters.Marshall D. Newton, Richard Stanton — 1986
• C60 carbon cagesThomas Schmalz, W. A. Seitz, Douglas J. Klein — 1986
• Localized molecular orbitals and electronic structure of BuckminsterfullereneDennis S. Marynick, S. K. Estreicher — 1986
• Theoretical studies of icosahedral C60 and some related speciesAnthony J. Stone, David J. Wales — 1986
• Electronic structure and bonding in icosahedral C60Robert C. Haddon, Louis E. Brus, Krishnan Raghavachari — 1986
• The 60-carbon cluster has been revealedSumio Iijima — 1987
• Production of large carbon cluster ions by laser vaporizationA. O’Keefe, Mark M. Ross, A. P. Baronavski — 1986
• A reply to “magic numbers in Cn+ and Cn− abundance distribution” based on experimental observationsSean C. O’Brien, J. R. Heath, Harold W. Kroto — 1986
• The UV absorption spectrum of C60 (buckminsterfullerene): A narrow band at 3860 ÅJ. R. Heath, R. F. Curl, R. E. Smalley — 1987
• Prescription for stabilization of ferromagnetic exchange in molecular solids via admixing of the ground state with a virtual charge-transfer excited stateJoel S. Miller, Arthur J. Epstein — 1987
• Two icosahedral structures for the C60 clusterTai‐ichi Shibuya, Masaaki Yoshitani — 1987

Cited by

• Cn carbon clusters (n=4−6, 60, 70): interesting cases of computation/observation comparisonsZdeněk Slanina, Jerzy M. Rudziński, Eiji O̅sawa — 1991
• Square/hexagon route towards the boron-nitrogen clustersMeiling Sun, Zdeněk Slanina, Shyi‐Long Lee — 1995
• Formation and isomerization of C120: considerations of symmetry, kinetics and thermodynamicsE. Amitai Halevi — 2002
• MNDO study of charged complexes of dodecahedron-shaped C20 with LiZdeněk Slanina, Ludwik Adamowicz — 1993
• Fullerene C50 isomers: Temperature-induced interchange of relative stabilitiesZdeněk Slanina, Ludwik Adamowicz, Dirk Bakowies — 1992
• Fullerenes in space.P. Ehrenfreund, B. H. Foing — 1997
• Thermodynamic limitations for fullerene formation in flamesChristopher J. Pope, Jack B. Howard — 1996
• Electronic structure of C60 and the alkali atom containing compounds MC60, M = Li, Na, K, Rb, Cs and K2C60Bo Wästberg, Arne Rosén — 1991
• On the formation of the fullerenesR. F. Curl — 1993
• Quantum-chemically supported vibrational analysis of giant molecules: the C60 and C70 clustersZdeněk Slanina, Jerzy M. Rudziński, M. Togasi — 1989
• Computing molecular complexes in earth's and other atmospheresZ. Slanina, Filip Uhlı́k, Akinori Saito — 2001
• Formation and chemistry of the fullerenesR. F. Curl — 1993
• On the relative stabilities of dodecahedron-shaped and bowl-shaped structures of C20Zdeněk Slanina, Ludwik Adamowicz — 1992
• C94 IPR isomeric set: large-scale computations of relative stabilities based on the Gibbs functionZdeněk Slanina, Xiang Zhao, Filip Uhlı́k — 2003
• Computing enthalpy–entropy interplay for isomeric fullerenesZdeněk Slanina, Xiang Zhao, Filip Uhlı́k — 2004
• Computations in Treating Fullerenes and Carbon AggregatesZ. Slanina, Shyi-Long Lee, C. Yu — 1996
• Carbon Nanostructures: Calculations of their Energetics, Thermodynamics, and StabilityZ. Slanina, F. Uhlík, Shyi-Long Lee — 2010
• Computational chemistry of isomeric fullerenes and endofullerenesZ. Slanina, S. Nagase — 2005

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