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Transcript
Doing Semi-Empirical Quantum Chemistry with Amber ⢠Amber 12 is packaged with SQM semiempirical program. MNDO: H, Li, Be, B, C, N, O, F, Al, Si, P, S, Cl, Zn, Ge, Br, Sn, I, Hg, Pb AM1: H, C, N, O, F, Al, Si, P, S, Cl, Zn, Ge, Br, I, Hg PM3: H, Be, C, N, O, F, Mg, Al, Si, P, S, Cl, Zn, Ga, Ge, As, Se, Br, Cd, In, Sn, Sb, PDDG/PM3: H, C, N, O, F, Si, P, S, Cl, Br, I PDDG/MNDO: H, C, N, O, F, Cl, Br, I RM1: H, C, N, O, P, S, F, Cl, Br, I PM3CARB1: H, C, O PM6: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Ar, K, Ca, Zn, Ga, Ge,Kr, Rb, DFTB/SCC-DFTB: (Any atom set available from the www.dftb.org website)
