Skip to main content

Benchmark Assessment Repository: Excitations

Benchmark Assessment Repository: Excitations

COMPLETE SETS (COMPRESSED FILES)
ExcitationsZIPTAR.GZ
INDIVIDUAL FILES
Molecules
PA Oligomer-2
PA Oligomer-3
PA Oligomer-4
PA Oligomer-5
Acene-1
Acene-2
Acene-3
Acene-4
Acene-5
PP
DMABN
Dipeptide
β-dipeptide
tripeptide
N2
CO
H2CO
HCl