| .. |
|
acetaldehyde.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
acetone.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
acetylene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
acrolein.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
allyl.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
ammonia.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
Ar.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
aza-naphthalene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
B.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
Be.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
bef.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
beh.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
benzene.xyz
|
qsGF2
|
2021-03-05 22:34:48 +01:00 |
|
benzoquinone.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
beryllium.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
bh2.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
butadiene.xyz
|
UG0F2
|
2021-03-08 17:00:05 +01:00 |
|
C.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
carbon_dimer.xyz
|
clean up basis sets
|
2020-10-26 14:52:11 +01:00 |
|
carbon_monoxide.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
carbon_trimer.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
carbonylfluoride.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
ccl2.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cclf.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cf2.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
ch3.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
ch.xyz
|
working on qsUGW
|
2020-10-21 12:09:18 +02:00 |
|
cn.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cno.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
co+.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
con.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyanoacetylene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyanoformaldehyde.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyanogen.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyclopentadiene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyclopentadienethione.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyclopentadienone.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyclopropene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyclopropenethione.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
cyclopropenone.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
diacetylene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
diazirine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
diazomethane.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
difluorodiazirine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
dinitrogen.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
ethylene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
f2bo.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
f2bs.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
F.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
formaldehyde.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
formamide.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
formylfluoride.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
furan.xyz
|
bug fix in qsUGW
|
2020-11-03 21:47:57 +01:00 |
|
glyoxal.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
h2.xyz
|
clean up qsGW print
|
2021-03-23 22:35:46 +01:00 |
|
h2bo.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
h2po.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
h2ps.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
H.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hccl.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hcf.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hco.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hcp.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
He.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hexatriene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hoc.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hpo.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hps.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hsif.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hydrogen_chloride.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
hydrogen_sulfide.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
imidazole.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
isobutene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
ketene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
Li.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
maleimide.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
methanimine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
methylenecyclopropene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
N.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
naphthalene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
nco.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
Ne.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
nh2.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
nitromethyl.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
nitrosomethane.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
nitroxyl.xyz
|
clean up basis sets
|
2020-10-26 14:52:11 +01:00 |
|
no.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
O.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
oh.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
ph2.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
propynal.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
pyrazine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
pyridazine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
pyridine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
pyrimidine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
pyrrole.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
sicl2.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
silylidene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
streptocyanine-c1.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
streptocyanine-c3.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
streptocyanine-c5.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
tetrazine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
thioacetone.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
thioacrolein.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
thioformaldehyde.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
thiophene.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
thiopropynal.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
triazine.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
vinyl.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
water.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
|
Xe.xyz
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
