Kayi H (2010)
Publication Type: Journal article
Publication year: 2010
Book Volume: 16
Pages Range: 1029-1038
Journal Issue: 5
DOI: 10.1007/s00894-009-0613-z
We report the parameterisation of AM1* for gold. The basis set for gold contains one set each of s-, p- and d-orbitals. AM1* parameters are now available for H, C, N, O and F (which use the original AM1 parameters), Al, Si, P, S, Cl, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Br, Zr, Mo, I and Au. The performance and typical errors of AM1* for gold are discussed.
APA:
Kayi, H. (2010). AM1* parameters for gold. Journal of Molecular Modeling, 16(5), 1029-1038. https://dx.doi.org/10.1007/s00894-009-0613-z
MLA:
Kayi, Hakan. "AM1* parameters for gold." Journal of Molecular Modeling 16.5 (2010): 1029-1038.
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