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eQuantum Chemistry packages comparison

Software packages availability

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Functional	Gaussian	Turbomole	Molpro	GAMESS	NWChem	ORCA	Terachem	ADF
S	x	x
XA	x
B	x	x
PW91	x
mPW	x
G96	x
PBE	x	x
O	x
TPSS	x
RevTPSS	x
BRx	x
PKZB	x
PBEh	x

...

Functional	Gaussian	Turbomole	Molpro	GAMESS	NWChem	ORCA	Terachem	ADF
VWN	x	x
VWN5	x	x
LYP	x	x
PL	x
P86	x	x
PW91	x
B95	x
PBE	x	x
TPSS	x	x
RevTPSS	x
KCIS	x
BRC	x
PKZB	x

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