Electronic Resource
Springer
The European physical journal
26 (1993), S. 261-263
ISSN:
1434-6079
Keywords:
31.20.Ej
;
31.20.Gm
;
36.40.+d
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract Semi-empirical (MNDO) and ab-initio Hartree-Fock (3-21G) calculations on the structure and stability of C72 are reported. Though never isolated experimentally, C72 has been previously suggested to be a particularly stable fullerene based on simple Hückel molecular orbital ideas. However, our calculations which include complete geometry optimization definitively show that it is significantly less stable than C70. The structural and electronic factors which are responsible for its instability are discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01425684
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