AM1 computations on seven isolated-pentagon-rule isomers of C80
- 1 November 1995
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 246 (1-2) , 66-72
- https://doi.org/10.1016/0009-2614(95)01084-m
Abstract
No abstract availableKeywords
This publication has 29 references indexed in Scilit:
- Ab initiomolecular-orbital calculation forand seven isomers ofPhysical Review B, 1994
- Isomeric transitions in fullerenic and non-fullerenic carbon aggregatesNanostructured Materials, 1994
- Calculated Relative Stabilities of C84Fullerene Science and Technology, 1993
- High-energy collisions of fullerene radical cations with target gases: capture of the target gas and charge stripping of C60.bul.+, C70.bul.+, and C84.bul.+Journal of the American Chemical Society, 1992
- Resilience of all-carbon molecules C60, C70, and C84: a surface-scattering time-of-flight investigationThe Journal of Physical Chemistry, 1991
- Separation, Detection, and UV/Visible Absorption Spectra of Fullerenes; C76, C78, and C84Chemistry Letters, 1991
- Structures and vibrational frequencies of carbon molecules (C60, C70, and C84)The Journal of Physical Chemistry, 1991
- Faraday communications. The higher fullerences: a candidate for the structure of C78Journal of the Chemical Society, Faraday Transactions, 1991
- Equilibrium isomeric mixtures: potential energy hypersurfaces as the origin of the overall thermodynamics and kineticsInternational Reviews in Physical Chemistry, 1987
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985