Index of /spectra/jsmol/data

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[ ]04369a.cif2025-09-02 11:59 23K 
[ ]1bna_surface.pse2025-09-02 11:59 180K 
[ ]1cbs.cif2025-09-02 11:59 152K 
[ ]1cbs_2fofc.map2025-09-02 11:59 2.1M 
[ ]1crn.pdb2025-09-02 11:59 48K 
[ ]1crn.pdb.gz2025-09-02 11:59 48K 
[IMG]1crn_surf.png2025-09-02 11:59 233K 
[IMG]1crn_surf_map.png2025-09-02 11:59 310K 
[ ]1crntour.pdb2025-09-02 11:59 34K 
[ ]1ehz.pdb.dssr2025-09-02 11:59 273K 
[IMG]1fss.png2025-09-02 11:59 789K 
[ ]1fss.pse2025-09-02 11:59 2.9M 
[IMG]1hxw.png2025-09-02 11:59 128K 
[ ]1hxw.pngj2025-09-02 11:59 128K 
[ ]1m19.pdb.gz2025-09-02 11:59 385K 
[ ]2bxaH.pdb2025-09-02 11:59 1.4M 
[ ]3hz7.pdb.gz2025-09-02 11:59 18K 
[ ]4312.pse2025-09-02 11:59 15M 
[ ]AgFUPMOS.cif2025-09-02 11:59 4.4K 
[IMG]Al2O3.png2025-09-02 11:59 68K 
[ ]BX3.jdx2025-09-02 11:59 151K 
[ ]Bisphenol.xsd2025-09-02 11:59 9.6K 
[ ]C2Cl4.jdx2025-09-02 11:59 28K 
[ ]CH2Cl2.xyz2025-09-02 11:59 3.7K 
[ ]ClM.jdx2025-09-02 11:59 115K 
[ ]ClM0.jdx2025-09-02 11:59 58K 
[ ]ClM00.jdx2025-09-02 11:59 58K 
[ ]ClM01.jdx2025-09-02 11:59 58K 
[ ]ClMethanes.jdx2025-09-02 11:59 112K 
[ ]Claniline.jdx2025-09-02 11:59 558K 
[ ]Clbenzald.jdx2025-09-02 11:59 159K 
[ ]Crspectra.jdx2025-09-02 11:59 49K 
[ ]CuO2CCHF2.magres2025-09-02 11:59 1.4M 
[ ]DCE-annotated.jdx2025-09-02 11:59 90K 
[ ]DCE-annotated2.jdx2025-09-02 11:59 90K 
[ ]DCE.jdx2025-09-02 11:59 89K 
[ ]DCE00.jdx2025-09-02 11:59 90K 
[ ]DCE1.jdx2025-09-02 11:59 88K 
[ ]DCE3.jdx2025-09-02 11:59 50K 
[ ]DCEZ.jdx2025-09-02 11:59 109K 
[ ]DCEZ0.jdx2025-09-02 11:59 92K 
[ ]DCE_Sim-Orig.jdx2025-09-02 11:59 109K 
[ ]DCE_Sim.jdx2025-09-02 11:59 103K 
[ ]DCE_Sim0.jdx2025-09-02 11:59 105K 
[ ]DCE_Sim1-Orig.jdx2025-09-02 11:59 111K 
[ ]DCE_Sim1.jdx2025-09-02 11:59 104K 
[ ]DCE_Sim1a.jdx2025-09-02 11:59 108K 
[ ]DCE_class.jdx2025-09-02 11:59 109K 
[ ]DEPEA.mol2025-09-02 11:59 4.3K 
[ ]Drexel1.jdx2025-09-02 11:59 380K 
[ ]Expt12.jdx2025-09-02 11:59 149K 
[ ]Expt36.jdx2025-09-02 11:59 32K 
[ ]H3C2F3.jdx2025-09-02 11:59 94K 
[ ]IRQuiz.jdx2025-09-02 11:59 28K 
[ ]N2F2.jdx2025-09-02 11:59 52K 
[ ]N2F2R1.jdx2025-09-02 11:59 52K 
[ ]N2F2R2.jdx2025-09-02 11:59 52K 
[ ]N2F2T.jdx2025-09-02 11:59 52K 
[ ]NH3BH3-N.mol2025-09-02 11:59 13K 
[ ]NH3BH3.jdx2025-09-02 11:59 88K 
[ ]P(CN)3.jdx2025-09-02 11:59 38K 
[ ]P(CN)3_Sim.jdx2025-09-02 11:59 37K 
[IMG]Sr2Nb2O7_working.gif2025-09-02 11:59 1.0M 
[IMG]Sr2Nb2O7_working.png2025-09-02 11:59 65K 
[IMG]Sr2Nb2O7_working2.gif2025-09-02 11:59 1.7M 
[IMG]Sr2Nb2O7_working2.png2025-09-02 11:59 111K 
[ ]Ti2O3.cif2025-09-02 11:59 1.5K 
[ ]aceticacid.spartan2025-09-02 11:59 826K 
[ ]acetophenone.jdx2025-09-02 11:59 255K 
[ ]acetophenonePDB.jdx2025-09-02 11:59 256K 
[ ]acetophenoneV3.jdx2025-09-02 11:59 255K 
[IMG]acetophenone_jdx_qrcode.45640005.jpg2025-09-02 11:59 23K 
[ ]aniline_acetanilide_IR.dx2025-09-02 11:59 141K 
[ ]aquation20.jdx2025-09-02 11:59 96K 
[ ]aspirinNMR.jdx2025-09-02 11:59 218K 
[TXT]astex.cmds.txt2025-09-02 11:59 10K 
[ ]bbPlane.pse2025-09-02 11:59 405K 
[ ]bcc.cif2025-09-02 11:59 380  
[ ]benzene.c3xml2025-09-02 11:59 365K 
[DIR]benzenevib.spardir/2025-09-02 11:59 -  
[IMG]bob.png2025-09-02 11:59 132K 
[IMG]bonattite.png2025-09-02 11:59 151K 
[IMG]bonattite_model.png2025-09-02 11:59 1.6M 
[IMG]browse.png2025-09-02 11:59 121K 
[ ]buckyball.mol2025-09-02 11:59 4.9K 
[ ]buckyball2D.mol2025-09-02 11:59 5.0K 
[ ]c6h6.smol2025-09-02 11:59 162K 
[ ]c13nmr_assigned.jdx2025-09-02 11:59 133K 
[ ]c60af.mol2025-09-02 11:59 3.0K 
[ ]caffeine.jvxl2025-09-02 11:59 8.3K 
[ ]caffeine.mol2025-09-02 11:59 2.3K 
[ ]caffeine.vdw.jvxl2025-09-02 11:59 8.3K 
[ ]calcite.cif2025-09-02 11:59 23K 
[ ]ch3cl.smol2025-09-02 11:59 240K 
[IMG]chairflip.png2025-09-02 11:59 183K 
[IMG]chalcanthite.png2025-09-02 11:59 101K 
[IMG]chalcanthite_model.png2025-09-02 11:59 592K 
[ ]cholestacCNMR.dx2025-09-02 11:59 60K 
[ ]chromium.cif2025-09-02 11:59 12K 
[ ]cinnamaldehyde_NMR.jdx2025-09-02 11:59 116K 
[ ]cl2o.gamess2025-09-02 11:59 132K 
[ ]co2.smol2025-09-02 11:59 43K 
[ ]coffeeGC.jdx2025-09-02 11:59 29K 
[ ]coffhdGCMS.jdx2025-09-02 11:59 89K 
[ ]croconic_new(1).magres2025-09-02 11:59 9.6K 
[ ]croconic_new.magres2025-09-02 11:59 9.6K 
[ ]cx1.jdx2025-09-02 11:59 332K 
[ ]cx1b.jdx2025-09-02 11:59 434K 
[ ]cx1c.jdx2025-09-02 11:59 349K 
[IMG]cyc35_compare.png2025-09-02 11:59 114K 
[IMG]cyc35_nocompare.png2025-09-02 11:59 101K 
[ ]cyclflip2.jmol2025-09-02 11:59 109K 
[ ]cyclflip2.spt2025-09-02 11:59 2.2K 
[ ]cyclohexaneFlip.jmol2025-09-02 11:59 87K 
[ ]cyclohexane_movie.xyz2025-09-02 11:59 33K 
[ ]dataRJL_2.zip2025-09-02 11:59 4.9M 
[ ]diamond.cif2025-09-02 11:59 4.6K 
[ ]dickite.cif2025-09-02 11:59 1.6K 
[ ]dna.pse2025-09-02 11:59 260K 
[ ]dodecaneMS.jdx2025-09-02 11:59 29K 
[ ]estron.cml2025-09-02 11:59 30K 
[ ]etbenz.mol2025-09-02 11:59 1.7K 
[ ]etbenz.xyz2025-09-02 11:59 1.6K 
[ ]etbenzoate.jdx2025-09-02 11:59 157K 
[ ]etbenzoate2.jdx2025-09-02 11:59 157K 
[ ]ethanolamine.jdx2025-09-02 11:59 84K 
[ ]ethexanoate.jdx2025-09-02 11:59 953  
[ ]ethexanoate.mol2025-09-02 11:59 2.5K 
[ ]ethylacrylate.mol2025-09-02 11:59 1.3K 
[ ]exo.xyz2025-09-02 11:59 21K 
[SND]fid.wav2025-09-02 11:59 64K 
[IMG]filled.png2025-09-02 11:59 668K 
[ ]filled.pse2025-09-02 11:59 4.9M 
[ ]flexfit.spt2025-09-02 11:59 1.1K 
[ ]g.phonon2025-09-02 11:59 2.8M 
[ ]gold.cif2025-09-02 11:59 380  
[ ]graphite.cif2025-09-02 11:59 946  
[ ]hypogly.mol2025-09-02 11:59 2.0K 
[ ]icsd_26520.cif2025-09-02 11:59 2.7K 
[ ]icsd_200866.cif2025-09-02 11:59 8.8K 
[ ]icsd_250072.cif2025-09-02 11:59 5.3K 
[ ]ir_assigned.jdx2025-09-02 11:59 68K 
[ ]ir_assigned_SOURCE.jdx2025-09-02 11:59 68K 
[IMG]jmestar.png2025-09-02 11:59 365  
[ ]k04041.cif2025-09-02 11:59 20K 
[ ]kuds0105a.ccdc.cif2025-09-02 11:59 25K 
[ ]lobe1.jvxl2025-09-02 11:59 1.5K 
[ ]lobe2.jvxl2025-09-02 11:59 1.5K 
[ ]maleic.cif2025-09-02 11:59 45K 
[ ]mass_assigned.jdx2025-09-02 11:59 9.6K 
[ ]mass_assigned_SOURCE.jdx2025-09-02 11:59 9.6K 
[TXT]menu.txt2025-09-02 11:59 23K 
[ ]methanol.spartan.bin2025-09-02 11:59 243K 
[IMG]moAnim.png2025-09-02 11:59 335K 
[ ]n-butane_M0001.jxyz2025-09-02 11:59 17K 
[ ]n.mol2025-09-02 11:59 4.7K 
[ ]nacl.cif2025-09-02 11:59 3.8K 
[ ]nair.jdx2025-09-02 11:59 402  
[ ]nank0104a.ccdc.cif2025-09-02 11:59 12K 
[ ]nepheline.cif2025-09-02 11:59 3.4K 
[ ]nmr_assigned.jdx2025-09-02 11:59 91K 
[ ]no2_nbo.log.gz2025-09-02 11:59 45K 
[ ]nutmegGCMS.jdx2025-09-02 11:59 50K 
[DIR]organics/2025-09-02 11:59 -  
[ ]para.pse2025-09-02 11:59 9.5M 
[ ]paracetamol_Hnmr_ACD.jdx2025-09-02 11:59 75K 
[ ]paracetamol_c13nmr_ACD.jdx2025-09-02 11:59 124K 
[ ]paracetamol_ir_ACD.jdx2025-09-02 11:59 28K 
[ ]paracetamol_mass_ACD.jdx2025-09-02 11:59 8.7K 
[ ]pimberry_GCMS.jdx2025-09-02 11:59 34K 
[ ]pimentoGCMS2.dx2025-09-02 11:59 34K 
[ ]pp2.pse2025-09-02 11:59 543K 
[ ]pregnenolone-cosy.dx2025-09-02 11:59 3.4M 
[ ]psnfruitGC.jdx2025-09-02 11:59 664  
[ ]pyrazine.jdx2025-09-02 11:59 63K 
[ ]quartz.cif2025-09-02 11:59 1.1K 
[ ]rabe.phonon2025-09-02 11:59 621  
[ ]rabe.spt2025-09-02 11:59 4.5K 
[ ]rabe0.spt2025-09-02 11:59 2.9K 
[ ]rabe1.spt2025-09-02 11:59 4.7K 
[ ]rabe2.spt2025-09-02 11:59 4.4K 
[ ]sage.pmesh2025-09-02 11:59 79K 
[ ]sage.zip2025-09-02 11:59 50K 
[ ]sample78-1hnmr.jdx2025-09-02 11:59 648K 
[ ]sample78-cosy.jdx.gz2025-09-02 11:59 3.4M 
[ ]sebi0105c.ccdc.cif2025-09-02 11:59 22K 
[ ]square_planar.spartan2025-09-02 11:59 24K 
[ ]sr2.cif2025-09-02 11:59 13K 
[ ]synfuelGCMS.jdx2025-09-02 11:59 37K 
[ ]t-butene.xyz2025-09-02 11:59 436  
[ ]t-butylOH.jdx2025-09-02 11:59 136K 
[ ]t.jdx2025-09-02 11:59 558K 
[ ]t.jvxl.gz2025-09-02 11:59 848  
[IMG]t.png2025-09-02 11:59 114K 
[ ]t2d.jdx2025-09-02 11:59 5.7M 
[ ]t3.pngj2025-09-02 11:59 133K 
[ ]t6.jdx2025-09-02 11:59 255K 
[ ]t11a.jdx2025-09-02 11:59 76K 
[ ]taxol.mol2025-09-02 11:59 8.2K 
[ ]tcb-1h.jdx2025-09-02 11:59 94K 
[ ]tcb-13c.jdx2025-09-02 11:59 125K 
[ ]test.molden2025-09-02 11:59 2.6K 
[ ]test.spt2025-09-02 11:59 779  
[ ]test2acet.mol2025-09-02 11:59 1.5K 
[ ]testacet.mol2025-09-02 11:59 1.5K 
[ ]testacet.pdb2025-09-02 11:59 1.9K 
[ ]ti3aq_XY.jdx2025-09-02 11:59 8.8K 
[ ]troilite.cif2025-09-02 11:59 1.5K 
[ ]vasp.xml2025-09-02 11:59 337K 
[ ]vib.xml2025-09-02 11:59 75K 
[ ]vinylproprionate.mol2025-09-02 11:59 1.3K 
[ ]vinylpyrr.jdx2025-09-02 11:59 211K 
[IMG]virus.png2025-09-02 11:59 3.9M 
[ ]water.xodydata2025-09-02 11:59 59K 
[ ]water.xyz.gz2025-09-02 11:59 80  
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