quack

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

xyz files

2020-10-12 14:30:00 +02:00

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

xyz files

2020-10-12 14:30:00 +02:00

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

PBE exchange

2021-02-11 22:32:48 +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