Ca
Calcium
Electronic Configuration: 1s2 He 2s2 2p6 Ne 3s2 3p6 Ar 4s2 3d10 4p6 Kr 5s2 4d10 5p6 Xe 6s2 4f14 5d10 6p6 Rn 7s2 5g14 6d10
Molecular Mechanics Force Fields:
MM2
MM3
Amber
Sybyl
CFF
ESFF
Born
Dreiding
Semiempirical Parameterizations:
INDO/1
PM3(tm)
Quantum Mechanical Basis Sets:
STO-nG
n-21G
SVP
TZV(P)
DNP
MINI
MIDI
ECP
Back to
Periodic Table
.
1/97 Ernie Chamot / Chamot Labs /
/
echamot@chamotlabs.com