1280As_templ.nb
1280A_templ.nb
1280Bs_templ.nb
1280B_templ.nb
1280Cgood_templ.nb
1280C_templ.nb
1280_templ.nb
12crown4_cortpl.nb
12crown4_DEV.nb
12Crown4_noLP__Wolfram_template.nb
2,2,3,3Tetramethylbutane_Wolfram_template.nb
2-Methylpropane_template.nb
22Cyclophane_Wolfram_template.nb
22Paracyclophan_templ.nb
960a_template.nb
960b_template.nb
960c_template.nb
960dA_templ.nb
960dB_templ.nb
960dC_templ.nb
960dD_templ.nb
960d_templ.nb
960_template.nb
A2gen.nb
acetaldehyde_DEV.nb
acetaldehyde_g31.nb
acetoaceticacid_DEVtst3.nb
acetone_DEV.nb
acetone_DEVtst.nb
acetone_DEVtst1.nb
acetone_DEVtst2.nb
acetone_DEVtst3.nb
acetone_g31.nb
acetyl_acetone_DEVtst3.nb
adamantan3D.nb
adamantan3D_template.nb
adamantane3D_template.nb
AdamantaneTST_templ.nb
adamantanV3D.nb
adamantanV3D1.nb
AdamantN_template.nb
adenine3D.nb
adenosine3D.nb
adenosine3D_template.nb
adenosine_cal.nb
adenosine_exp.nb
adenosine_sacch.nb
Adrenalin_Wolfram_template.nb
Al.nb
Al1.nb
Al2.nb
Al_gross.nb
anthracene3D.nb
Ar.nb
ArF41101.nb
ArS.nb
ArS2.nb
ArS2sig.nb
Ar_a.nb
aspirin.nb
aspirin1.nb
aspirin2.nb
aspirin3.nb
aspirin3D.nb
aspirin3D1.nb
aspirin4.nb
aspirinMANIP_diaztempl.nb
aspirin_diaztempl.nb
B2H6nott.nb
B2H6nott_mat.nb
B2H6nott_mat_exp.nb
B2H6nott_mat_exp1.nb
B2H6nott_mat_exp2.nb
B2H6nott_mat_exp3.cdf
B2H6nott_mat_exp3.nb
B2H6nott_mat_exp4.nb
barbituricacid.nb
BeH2_wol.nb
BenzeneNF_template.nb
BenzeneN_exp.nb
BenzeneN_template.nb
BenzeneTST_template.nb
Benzene_template.nb
Be_atomscorr.nb
Be_atom_spherical.nb
BH3CH4_wos2.nb
BH3CH4_wos2_3D.nb
BH3CH4_wos2_3Da.nb
BH3_no.nb
BH3_wos.nb
BorazineHPage_Wolfram_template.nb
BorazinePI1_Wolfram_template.nb
BorazinePII_Wolfram_template.nb
BorazinePI_Wolfram_template.nb
Borazine_Wolfram_template.nb
BrF41101.nb
butane3D.nb
Butane3D_template.nb
ButaneCMP2_template.nb
ButaneD3D_template.nb
ButaneTST_templ.nb
Butane_eclipsed_template.nb
Butane_G03VTZ_ecli_template.nb
Butane_gauche_template.nb
Butane_staggered_template.nb
Butane_Wolfram_template.nb
B_atomscorr.nb
B_s24atoms.nb
C2H2Mt.nb
C2H2MtR4.nb
C2H4forceC.nb
C2H4forceCHW.nb
C2H4forceCHWR4.nb
C2H4forceCHWR4R3.nb
C2H4Mtnm.nb
C2H4Mtnm3D.nb
C2H4new5.nb
C2H4newMtnm.nb
C2H4_B2H6.nb
C2H60001.nb
C2H6Mtnm_trial.nb
C2H6Mt_no_min.nb
C2H6_matCH4.nb
Calmagite.nb
Calmagite2.nb
Calmagite2a.nb
Calmagite_orc.nb
Calmtrans_orc.nb
camphane3D.nb
camphane3D_template.nb
Cantharidin_noLP__Wolfram_template.nb
CartesianMap1.m
cartesianmap1.nb
cartesianmap1a.nb
Cd_S5.nb
Cellobiose_DEV1.nb
Centrohexaindane3D.nb
CentroIndaneH6aMAT_templ.nb
CH4.nb
CH4forceCHW.nb
CH4Mtmin.nb
CH4newMt_neu.nb
CH4_mat.nb
CH4_mat1.nb
CH4_mat1FM.nb
CH4_mat2a.nb
CH4_mat2aFM.cdf
CH4_mat2aFM.nb
CH4_mat2aNM.nb
CH4_mat2FM.nb
CH4_mat2FM_final.nb
CH4_mat2FM_kimball.nb
CH4_matNM.cdf
CH4_matNM.nb
CH4_matX.nb
CH4_mat_old.nb
ChemData.nb
ChlorogenicA_DEV.nb
chlorophyllDEV.nb
chloroph_cal.nb
chloroph_cal1.nb
chloroph_template.nb
Chromobenz.nb
ChromobenzOrca.nb
Chromobenz_Ara.nb
Chromobenz_AraOrca.nb
CiH4.nb
cinchonine3D.nb
cincho_adeno.nb
cincho_adenoTST.nb
CisBicyclo(3.3.0)Octane3D_template.nb
CisBicyclo(3.3.0)OctaneWolfram_template.nb
Cl.nb
Clm_S3.nb
CoenzymeAinter.nb
CoenzymeAinter1.nb
CoenzymeA_TST.nb
CoenzymeA_TST1.nb
CoenzymeA_TST2.nb
CoenzymeA_TST3.nb
CoenzymeA_TST4.nb
CoenzymeA_TST5.nb
CoenzymeA_Wolfram_template.nb
COORDSiF4.nb
CoroA_template.nb
CoroB_template.nb
coronene03D.nb
coronene3D.nb
CoroneneFMAT_templ.nb
Coro_template.nb
cortison3D.nb
Cortison_asptpl.nb
Cortison_TST.nb
Cortison_TST1.nb
Cortison_TST2.nb
Cortison_Wolfram_template.nb
cortpl.nb
cortpl_FFF.nb
Cs_Xe_vne.nb
cyclododecane.nb
cyclohexane.nb
cyclohexaneN3D_template.nb
Cyclooctane3D_template.nb
cytosine3D.nb
C_atoms.nb
C_atomscorr.nb
C_atoms_new.nb
C_atoms_new1.nb
c_hexane.nb
c_octane3D_template.nb
Decane3D.nb
Decane3D_template.nb
DecaneCMP2_template.nb
DecaneMP23D.nb
DecaneMP2a3D.nb
decaneN3D_template.nb
DecaneTST_templ.nb
DecaneVit_templ.nb
DecTriaaneWolfram_template.nb
DFructose_DEV.nb
Diamond.nb
Diamond_a.nb
Diamond_template.nb
DiazepamTST1_vita.nb
DiazepamTST2_vita.nb
DiazepamTST3_vita.cdf
DiazepamTST3_vita.nb
DiazepamTST_vita.nb
Diazepam_fehler_Wolfram_template.nb
Diazepam_noLP_Wolfram_template.nb
Diazepam_vita.nb
diaztempl.nb
diborane.nb
Dibromodulcitol_Wolfram_template.nb
DiethylMalonate.nb
DiethylMalonate_W.nb
Dimethylformamide_sacch.nb
DMA.cdf
DMA_TST.nb
DMA_TST1.nb
DMC_template.nb
dna_cal.nb
dodecane3D.nb
Dodecane3D_template.nb
EDTA3D.nb
EDTA3D1.nb
EDTATST_templ.nb
eicosan.nb
Eicosane3D_template.nb
EicosaneCMP2_template.nb
EicosaneTST_templ.nb
EicosaneWolrram_template.nb
ethane.nb
ethane3D.nb
ethane3D1.nb
ethane3D_template.nb
ethaneC3D_template.nb
ethaneCMP2_template.nb
ethaneD3dMP2_template.nb
ethaneN.nb
ethaneN1.nb
ethaneN1_exp.nb
ethaneN1_new.nb
ethaneN2_exp.nb
ethaneN3D_template.nb
ethaneN3_exp.nb
ethaneN4_exp.nb
ethaneN5a_exp.nb
ethaneN5_exp.nb
ethaneNK_new.nb
ethaneNM1_exp.nb
ethaneNMat.nb
ethaneNMat1a_exp.nb
ethaneNMat1_exp.nb
ethaneNMatpol.nb
EthaneTST_templ.nb
ethane_DEV.nb
ethane_g31.nb
ethane_g31_mat.nb
ethenexp.nb
Ethene_neu1.nb
Ethene_neu2.nb
Ethene_neu3.nb
ethene_new.nb
ethene_new1.nb
ethene_new2.nb
Ethene_Wolfram_template.nb
ethylacetoacetate_DEVtst3.nb
EthylCyanoacetate.nb
F2atetrahedric.nb
F2btetrahedric.nb
F2draw.nb
F2formal1.nb
F2formal2.nb
F2new_fmin_edric.nb
F2new_tetrahedric.nb
F2pas1.nb
F2pas1FFF.nb
F2pas1NM.nb
F2pas1pas.nb
F2pas1pas_fmin.nb
F2pas1RRR.nb
F2pasOrig.nb
F2pasOrigFM.nb
F2pasOrigNM.nb
F2tetrahedric.nb
F2TST1.nb
F2TST1a.nb
F2TST2.nb
F2TST2a.nb
F2TST2aNM.nb
Fe+++_S4.nb
Fe++_S4.nb
FeCl6m.m
FeCl6m.nb
FeCN6II1.nb
FeCN6II8.nb
FeCN6II8a.nb
FeCN6m.m
FeCN6m.nb
FeCN6m03.nb
FeCN6m05.nb
FeCN6m06.nb
FeF6m.m
FeF6m.nb
FeF6ma.m
FeF6ma.nb
FeF6mb.m
FeF6mb.nb
Ferrocene26_templ.nb
Ferrocene_templ.nb
Fformal1.nb
formaldehyde_DEV.nb
Formamide.nb
Formamide2.nb
Formamide3.nb
Formamide3a.nb
Formamide3b.nb
Formamide3c.nb
Formamide3d.cdf
Formamide3d.nb
Formamide3dexp.nb
formamide3D_template.nb
formamide3D_template1.nb
Formamide_fix.nb
formamide_sacch.nb
Formic2.nb
Fructose_DEV.nb
Fructose_DEV1.nb
Fructo_furanose_DEV.nb
Fructo_furanose_DEV1.nb
Fructo_furanose_DEV2.nb
Fructo_furanose_DEV2a.nb
fullerene3D.nb
fullereneneu3D.nb
fullereneneuA3D.nb
fullereneneuB3D.nb
F_s24atoms.nb
F_s24atoms_neu.nb
F_s24atoms_new.nb
GeH4.nb
GeH4ime5.nb
Gen_H2.nb
Gen_H2a.nb
Gen_H2b.nb
Gen_H2c.nb
Glucose_DEV.nb
Gluco_pyranose_DEV2a.nb
Gluco_pyranose_DEV2b.nb
Gluco_pyranose_TST2a.nb
Gluco_pyranose_TST2b.nb
Glycgly_TST3.nb
Glycgly_TST4.nb
Glycine.nb
GlycineN.nb
GlycineN_1.nb
GlycineN_2.nb
GlycineN_dev.nb
GlycineN_dev1.nb
GlycylLGlutamicAcid_TST.nb
GlycylLGlutamicAcid_TST1.nb
GraphiteA_template.nb
GraphiteB_template.nb
Graphite_template.nb
guanine3D.nb
H2+.nb
H2+gen.nb
H2+genKIN.nb
H2C20001.nb
H2C20003.nb
H2C20004.nb
H2CO3bMP2.nb
H2CO3_Coenz.nb
H2CO3_wolf.nb
H2gen.nb
H2genEE.nb
H2O2.nb
H2O2a.nb
H2O2b.nb
H2O2bRHF.nb
H2ObMP2.nb
H2ObRHF.nb
H2Oforce.nb
H2Oforce1.nb
H2Oforce2.nb
H2O_no2_3D.nb
H2O_no_3D1.nb
H2plus.nb
H2plus_neu.nb
H2plus_sp.nb
H2plus_spN.nb
H2sp.nb
H2stat.nb
H2statA.nb
H3+gen.nb
H3lin.nb
H3lina.nb
H4++gen.nb
H4+2gen.nb
H4C20001.nb
H4C20002.nb
H4C20021.nb
H4C20022.nb
H4C20024.nb
HCN.nb
HCN002.nb
He1s2p.nb
HeDelta1s2p.nb
Helicin_DEV.nb
Helicin_DEV1.nb
Heptadecane3D_template.nb
Heptane3D_template.nb
HeptaneCMP2_template.nb
Hexacosan.nb
Hexadecane3D_template.nb
Hexane3D_template.nb
HexaneCMP2_template.nb
HexaneTST_templ.nb
hexaprismaneFEHLR_template.nb
HexprisN_template.nb
HF_no_3D.nb
Hgen.nb
HHe+gen.nb
hydrocarbon3D_template.nb
IF41101.nb
K.nb
K19.nb
K20.nb
K21.nb
K26.nb
KClcrist.nb
Kplus_S3.nb
KrF41101.nb
Kr_S4.nb
Kr_S4Zn.nb
K_new.nb
K_S3.nb
K_S4.nb
lensePR.nb
lensePRa.nb
lensePRb.nb
Li.nb
Li2extN.nb
Li2extN2.nb
Li2int.nb
Li2_g2at!.nb
Liext.nb
LiF_g3at.nb
LiH.nb
LiH2+.nb
LiH2+N.nb
LiHext.nb
LiHextN.nb
LiHextN1.nb
LiHgen_pol.nb
LiHint.nb
LiHohvg2.nb
LiHpolariz.nb
LiHpolariz_force.nb
linse_equal.nb
linse_p.nb
listnew.txt
List_of_molecules.nb
Li_atomscorr.nb
Li_atom_spherical.nb
Li_graphics.nb
Li_graphics_new.nb
LPOtransformation.m
LpyrNtrans.m
MatOper.nb
methan.nb
Methane3D.nb
methane3D_template.nb
methaneA3D_template.nb
MethaneCMP2_template.nb
MethaneG3MP2.nb
MethaneTST_templ.nb
methane_DEV.nb
methane_g31.nb
MgO.nb
MgOk.nb
molecule_list.nb
N2.nb
N2a.nb
N2H4TST.nb
N2H4TST1.nb
N2TST.nb
N2TST2.nb
N2TST2a.nb
N2_F2TST2a.nb
N2_pas.nb
N2_pasTST.nb
Na+.nb
Na.nb
NaCl.nb
NaClcrist.nb
NaClcrist1.nb
NaClcrist1a.nb
NaClionpair.nb
Naphthalene_template.nb
Na_metal_2.nb
Na_metal_bcc.nb
Na_metal_fcc.nb
NCNtrans.m
Ne.nb
NeF_s24atoms.nb
Nemethan.nb
neon.nb
neonZ.nb
neonZ1.nb
NeS.nb
Ne_atoms.nb
Ne_s24atoms.nb
Ne_s24atoms_new.nb
Ne_s24a_atoms.nb
Ne_s24b1_atoms.nb
Ne_s24b2_atoms.nb
Ne_s24b_atoms.nb
Ne_s38atoms.nb
Ne_x.nb
NH3TST.nb
NH3TST2.nb
NH3TST3.nb
NH3_H2O_HF.nb
NH3_no2_3D.nb
Ni_S4.nb
Nonadecane3D_template.nb
nonan.nb
Nonane3D_template.nb
NonaneCMP2_template.nb
N_14atomscorr.nb
N_14vne.nb
N_14vnee.nb
N_18atomscorr.nb
N_atomscorr.nb
N_s24atoms.nb
N_s24atomscorr.nb
O2.nb
O2TST.nb
O2TST2.nb
O2TST2a.nb
O2TST3.nb
O2_F2TST2a.nb
OB1transformation.m
OB2transformation.m
OBtrans.m
OBtransformation.m
OBWtrans.m
OctadecaneWolrram_template.nb
Octane3D_template.nb
OctaneCMP2_template.nb
OD1trans.m
ODtrans.m
OT1trans.m
OTtrans.m
O_2patoms.nb
O_s24atoms.nb
P.nb
Pd_S5.nb
penicilline3D.nb
Penicill_TST.nb
PentaceneFMAT_templ.nb
Pentadecane3D_template.nb
Pentane3D_template.nb
PentaneCMP2_template.nb
pentaneCsMP2_ethanetempl.nb
PentaneCsMP2_template.nb
pentaneJOB42.nb
PentaneTST_templ.nb
PentaneWolfram.nb
PentaneWolfram_template.nb
PhenanthrA_template.nb
PhenanthrB_template.nb
Phenanthrene3D.nb
PhenanthreneA3D.nb
Phenanthr_template.nb
Phenanth_Coro_template.nb
PhenolMP2_template.nb
PhenolPDB_template.nb
PhenolW_template.nb
Phenol_benz_template.nb
Phenol_template.nb
PIActransformation.m
PICNtrans.m
PIflattrans.m
PIflattrans1.m
PItrans.m
PItransformation.m
porph1_B3.nb
porph1_B3a.nb
porphine_cif.nb
porphine_cinch.nb
Porphine_fehler_Wolfram_template.nb
prop2.nb
propane3D_template.nb
propaneA3D_template.nb
propaneB3D_template.nb
propaneC3D_template.nb
PropaneCMP2_template.nb
propaneD3D_template.nb
PropaneTST_templ.nb
pyrolys3D.nb
Pyrolys_TST.nb
p_overlap.nb
Ratio_Snyder-Basch.nb
reserpine3D.nb
Ringtorusinsphere.nb
rotations.nb
RotXZ.nb
RotXZTST.nb
RotXZTSTa.nb
Ru+++_S5.nb
rubrene3D.nb
S.nb
sacchariA_template.nb
sacchariTST1_template.nb
sacchariTST2_template.nb
sacchariTSTa_template.nb
sacchariTST_template.nb
sacchari_COC1_template.nb
sacchari_COC_template.nb
sacchari_cortpl.nb
sacchari_DEV1.nb
sacchari_DEV2.nb
sacchari_DEV3.nb
sacchari_DEV4.cdf
sacchari_DEV4.nb
sacchari_DEV5.nb
sacchari_GAM_templ.nb
sacchari_template.nb
sacchari_tmpl.nb
Saccharose_DEV.nb
schmidhalter.nb
SeF6.m
SeF6.nb
Sesamin_Wolfram_template.nb
SF6.m
SF6.nb
Si.nb
Si2H6001.nb
SiCl4001.nb
SiCl4002.nb
SiF40005.nb
SiF4005d.nb
SiF4005e.nb
SiF4005f.nb
SiF4005g.nb
SiF400b7.nb
SiF400d7.nb
SiF40neu.nb
SiF40zb7.cdf
SiF40zb7.nb
SiF41601.nb
SiF41901.nb
SiF42001.nb
SiF42104.nb
SiF42105.nb
SiF42301.nb
SiF42303.nb
SiF42304.nb
SiF42310.nb
SiF42314.nb
SiH3CH31.nb
SiH4a.nb
Sime4001.nb
Sime4001a.nb
Sime400C7.nb
Sime400D7.nb
Sime400D7_neu.cdf
Sime400D7_neu.nb
SiO2crist.nb
SnH4.nb
SteroidNTST_template.nb
SteroidN_template.nb
strychnine3D.nb
StrychnineTST.nb
StrychnineTST1.nb
TestSph.nb
testvecs.nb
Tetradecane3D_template.nb
thymine3D.nb
TiH4.nb
TorC640_templ.nb
Transf.nb
TriacontaneWolfram_template.nb
TriacontVit_templ.nb
Tridecane3D_template.nb
Undecane3D_template.nb
Untitled-2.nb
vitamina.nb
VitaminABTST_templ.nb
VitaminAH6aMAT_OH.nb
VitaminAH6aMAT_templ.nb
VitaminAH6bMAT_OH.nb
VitaminAH6MAT_templ.nb
VitaminAMAT_templ.nb
VitaminATST_templ.nb
VitaminA_complete.nb
VitaminA_completeTST.nb
VitaminA_completeTST2.nb
VitaminA_templ.nb
VitaminA_transf_templ.nb
VitaminB123D.nb
VitaminBMAT_templ.nb
VitaminCMAT_templ.nb
VitaminDMAT_templ.nb
VitaminEMAT_templ.nb
VitaminFMAT_templ.nb
VitaminGMAT_templ.nb
VitaminH1MAT_templ.nb
VitaminH2MAT_templ.nb
VitaminH3aMAT_templ.nb
VitaminH3MAT_templ.nb
VitaminH4aMAT_templ.nb
VitaminH4MAT_templ.nb
VitaminH5MAT_templ.nb
VitaminH6MAT_templ.nb
VitaminH7MAT_templ.nb
VitaminHMAT_OH.nb
VitaminHMAT_templ.nb
Wolfram_template.nb
XeF2draw.nb
XeF2draw1.nb
XeF2draw2.nb
XeF2inp.nb
XeF2_torus.nb
XeF2_torus2.nb
XeF4draw.cdf">
XeF4draw.nb
Xe_S6.nb
Xe_S6oct_rein.nb
Xe_S6rein.nb
Xe_S6tbp_rein.nb
Xe_S6tbp_rein_plot.nb
Xe_S6trig.nb
Xe_S6ZnCd.nb
Xe_S6ZnCd_plot.nb
Xe_S6_plot.nb
Xe_shell.nb
Xe_tbp_k.nb
Xe_tbp_vne.nb
Zn_S3.nb
ZrH4.nb