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acetaldehyde.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
acetone.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
acetylene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
acrolein.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
allyl.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
ammonia.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
Ar.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
aza-naphthalene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
B.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
Be.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
bef.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
beh.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
benzene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
benzoquinone.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
beryllium.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
bh2.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
butadiene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
C.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
carbon_dimer.xyz
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clean up basis sets
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2020-10-26 14:52:11 +01:00 |
carbon_monoxide.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
carbon_trimer.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
carbonylfluoride.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
ccl2.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cclf.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cf2.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
ch3.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
ch.xyz
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working on qsUGW
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2020-10-21 12:09:18 +02:00 |
cn.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cno.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
co+.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
con.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyanoacetylene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyanoformaldehyde.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyanogen.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyclopentadiene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyclopentadienethione.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyclopentadienone.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyclopropene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyclopropenethione.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
cyclopropenone.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
diacetylene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
diazirine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
diazomethane.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
difluorodiazirine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
dinitrogen.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
ethylene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
f2bo.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
f2bs.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
F.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
formaldehyde.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
formamide.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
formylfluoride.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
furan.xyz
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bug fix in qsUGW
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2020-11-03 21:47:57 +01:00 |
glyoxal.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
h2.xyz
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print qsUGW
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2020-12-10 09:19:58 +01:00 |
h2bo.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
h2po.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
h2ps.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
H.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hccl.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hcf.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hco.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hcp.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
He.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hexatriene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hoc.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hpo.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hps.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hsif.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hydrogen_chloride.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
hydrogen_sulfide.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
imidazole.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
isobutene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
ketene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
Li.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
maleimide.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
methanimine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
methylenecyclopropene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
N.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
naphthalene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
nco.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
Ne.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
nh2.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
nitromethyl.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
nitrosomethane.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
nitroxyl.xyz
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clean up basis sets
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2020-10-26 14:52:11 +01:00 |
no.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
O.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
oh.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
ph2.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
propynal.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
pyrazine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
pyridazine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
pyridine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
pyrimidine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
pyrrole.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
sicl2.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
silylidene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
streptocyanine-c1.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
streptocyanine-c3.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
streptocyanine-c5.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
tetrazine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
thioacetone.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
thioacrolein.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
thioformaldehyde.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
thiophene.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
thiopropynal.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
triazine.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
vinyl.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
water.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |
Xe.xyz
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xyz files
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2020-10-12 14:30:00 +02:00 |