I. Molecular simulations of buckyball fullerenes. II. Quantum chemistry studies on high-T_c superconductors.
Part I. In order to interpret and predict the unusual chemical and physical properties of the C_(60) and related fullerenes, fullerites, and molecular/solid state derivatives, we started with the graphite force field (GraFF) developed for sp^2 carbon centers (based on fitting experimental lattice pa...
Internet
https://thesis.library.caltech.edu/5334/1/Guo_y_1992.pdfGuo, Yuejin (1992) I. Molecular simulations of buckyball fullerenes. II. Quantum chemistry studies on high-T_c superconductors. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/jvvc-ry41. https://resolver.caltech.edu/CaltechTHESIS:10282009-111805575 <https://resolver.caltech.edu/CaltechTHESIS:10282009-111805575>