TY - JOUR
T1 - Localized molecular orbitals and electronic structure of buckminsterfullerene
AU - Marynick, Dennis S.
AU - Estreicher, S.
N1 - Funding Information:
We arei ndebted to R.E. Smalleya ndT .L. Estlef or stimulatingc onversationsT.h is work wass upported by grantY -743 from the Robert A. Welch Foundation (DSM), Cray Research,I nc. (DSM), and a Cottrellg rantf rom theR esearchC orporation( SE).
PY - 1986/12/19
Y1 - 1986/12/19
N2 - The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C60).
AB - The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C60).
UR - http://www.scopus.com/inward/record.url?scp=0000385473&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(86)80630-3
DO - 10.1016/0009-2614(86)80630-3
M3 - Article
AN - SCOPUS:0000385473
VL - 132
SP - 383
EP - 386
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-5
ER -