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Benchmark Assessment Repository: Excitations

Professor David J Tozer


Department of Chemistry
Durham University
South Road
Durham
DH1 3LE UK

Tel. +44 191 334 2111
[email protected]

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