Zr
Zirconium
Electronic Configuration: Kr 5s2 4d2
Molecular Mechanics Force Fields:
MM2+
Sybyl
ESFF
Born
Semiempirical Parameterizations:
INDO/1
MNDO/d
PM3(tm)
Quantum Mechanical Basis Sets:
STO-nG
n-21G
DNP
MINI
MIDI
ECP
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1/97 Ernie Chamot / Chamot Labs /
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echamot@chamotlabs.com