STRUCTURAL STABILITY AND ENERGETICS OF SULFUR MICROCLUSTERS - AN MNDO CALCULATION

1991-06-20
YILMAZ, H
Erkoç, Şakir
The structural stability and energetics of sulphur microclusters of 2-13 atoms were studied. The semiempirical MNDO method was used to calculate the lowest lying triplet state of S2 and the singlet states of S3-S13. The binding energy and ionization potentials of these clusters were calculated. The results agree qualitatively with the available data.

Citation Formats
H. YILMAZ and Ş. Erkoç, “STRUCTURAL STABILITY AND ENERGETICS OF SULFUR MICROCLUSTERS - AN MNDO CALCULATION,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 77, pp. 63–76, 1991, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57290.