Concepedia

Semiempirical molecular orbital calculation of geometric, electronic, and vibrational structures of metal oxide, metal sulfide, and other inorganic fullerene spheroids

Melvin E. Zandler, Elizabeth Behrman, M.B. Arrasmith, James Myers, Toni Smith

Journal of Molecular Structure THEOCHEM · 1996 · 22 citations · 16 references

DOI

Concepts

References

16

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.8K citations

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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

, , +10

Optimization of parameters for semiempirical methods II. Applications

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 3.7K citations

, , +9

Optimization of parameters for semiempirical methods. III Extension of PM3 to Be, Mg, Zn, Ga, Ge, As, Se, Cd, In, Sn, Sb, Te, Hg, Tl, Pb, and Bi

James J. P. Stewart · Journal of Computational Chemistry · 1991 · 649 citations · Full text

, , +6

Ti <sub>8</sub> C <sup>12</sup> <sup>+</sup> -Metallo-Carbohedrenes: A New Class of Molecular Clusters?

Baochuan Guo, K. P. Kerns, A. W. Castleman · Science · 1992 · 567 citations

, , +16