Performance of the DFTB method in comparison to DFT and semiempirical methods for geometries and energies of C20–C86 fullerene isomers

July 20, 2005

Journal Article

Performance of the DFTB method in comparison
to DFT and semiempirical methods for geometries
and energies of C20–C86 fullerene isomers

Abstract

An abstract for this journal article is not available at this time.

Revised: April 7, 2011 | Published: July 20, 2005

Citation

Zheng G., S. Irle, and K. Morokuma. 2005. "Performance of the DFTB method in comparison to DFT and semiempirical methods for geometries and energies of C20–C86 fullerene isomers." Chemical Physics Letters 412, no. 1-3:210-216. doi:10.1016/j.cplett.2005.06.105