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![[IMG]](/icons/image2.gif){kind=icon}
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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| 2-Th2'-Th.png | 2021-06-21 10:09 | 91K | |
| 2-Zr2'ZR.png | 2021-06-21 10:09 | 101K | |
| 2prime-Zr-benzene.png | 2021-06-21 10:09 | 7.2M | |
| 3-Th-start.png | 2021-06-21 10:09 | 246K | |
| 3.png | 2021-06-21 10:09 | 200K | |
| 4-Th-start.png | 2021-06-21 10:09 | 238K | |
| 4-Zr-start.png | 2021-06-21 10:09 | 227K | |
| 5-Th-finalopt.png | 2021-06-21 10:09 | 228K | |
| 5-Th-starting.png | 2021-06-21 10:09 | 244K | |
| 5-Zr-opt.png | 2021-06-21 10:09 | 218K | |
| 5-Zr-starting.png | 2021-06-21 10:09 | 229K | |
| 6-Th-opt.png | 2021-06-21 10:09 | 327K | |
| 6-Th-start.png | 2021-06-21 10:09 | 384K | |
| 6.png | 2021-06-21 10:09 | 264K | |
| 7.png | 2021-06-21 10:09 | 267K | |
| 8.png | 2021-06-21 10:09 | 261K | |
| 10-Th.png | 2021-06-21 10:09 | 280K | |
| 10.png | 2021-06-21 10:09 | 282K | |
| 12.png | 2021-06-21 10:09 | 240K | |
| AnglemolecDH.png | 2021-06-21 10:09 | 250K | |
| CASPT2.png | 2021-06-21 10:09 | 108K | |
| CASSCF.pdf | 2021-06-21 10:09 | 27K | |
| CASSCF.png | 2021-06-21 10:09 | 47K | |
| CASSCF.pptx | 2021-06-21 10:09 | 62K | |
| CBS.dat | 2021-06-21 10:09 | 32 | |
| CBS.pdf | 2021-06-21 10:09 | 367K | |
| CBS.png | 2021-06-21 10:09 | 52K | |
| CBS1.png | 2021-06-21 10:09 | 44K | |
| Cp-PuO2.png | 2021-06-21 10:09 | 62K | |
| DH-geom.png | 2021-06-21 10:09 | 179K | |
| DH-reactions.png | 2021-06-21 10:09 | 76K | |
| DIRAC.png | 2021-06-21 10:09 | 121K | |
| ETS-NOCV-TH.png | 2021-06-21 10:09 | 238K | |
| ETS-NOCV-Zr.png | 2021-06-21 10:09 | 265K | |
| ETSNOCV-3-Zr-RX.png | 2021-06-21 10:09 | 413K | |
| Ep-ThNOCV.png | 2021-06-21 10:09 | 196K | |
| Ethylene-start.png | 2021-06-21 10:09 | 183K | |
| Figure-Loreal.pdf | 2021-06-21 10:09 | 485K | |
| FullCASandoptCAS.png | 2021-06-21 10:09 | 55K | |
| IMG_2642 (1).png | 2021-06-21 10:09 | 14M | |
| IMG_2642.png | 2021-06-21 10:09 | 14M | |
| IMG_2643.png | 2021-06-21 10:09 | 12M | |
| IMG_2644.png | 2021-06-21 10:09 | 12M | |
| MP2.pdf | 2021-06-21 10:09 | 6.6K | |
| MP2.png | 2021-06-21 10:09 | 39K | |
| MP2.pptx | 2021-06-21 10:09 | 35K | |
| McMaster.png | 2021-06-21 10:09 | 171K | |
| NOCV-3p-Zr.png | 2021-06-21 10:09 | 426K | |
| NOCV-Zr-E.png | 2021-06-21 10:09 | 436K | |
| NOCV4-Zr-exo.png | 2021-06-21 10:09 | 408K | |
| NOCV4-Zr-horizontal.png | 2021-06-21 10:09 | 383K | |
| NOCV5p-Zr-exo.png | 2021-06-21 10:09 | 393K | |
| NOCV5p-Zr-horizontal.png | 2021-06-21 10:09 | 353K | |
| PuO2.png | 2021-06-21 10:09 | 891K | |
| PuO2OH2.png | 2021-06-21 10:09 | 1.1M | |
| PuO3.png | 2021-06-21 10:09 | 1.3M | |
| PuStates.png | 2021-06-21 10:09 | 154K | |
| RASSI.png | 2021-06-21 10:09 | 41K | |
| SCF.pdf | 2021-06-21 10:09 | 15K | |
| SCF.pptx | 2021-06-21 10:09 | 81K | |
| T1.png | 2021-06-21 10:09 | 11K | |
| T2.png | 2021-06-21 10:09 | 13K | |
| Th-ssarene - 1.png | 2021-06-21 10:09 | 2.8M | |
| Th-ssarene.xyz | 2021-06-21 10:09 | 1.4M | |
| Ucomplexes.png | 2021-06-21 10:09 | 194K | |
| X-Ray-6.png | 2021-06-21 10:09 | 1.5M | |
| X-Ray-7.png | 2021-06-21 10:09 | 1.5M | |
| X-Ray-10.png | 2021-06-21 10:09 | 1.4M | |
| Zr-complexe.png | 2021-06-21 10:09 | 139K | |
| Zr-toluene-1.png | 2021-06-21 10:09 | 4.4M | |
| Zr-toluene-2.cmmf | 2021-06-21 10:09 | 41K | |
| Zr-toluene-2 copy.png | 2021-06-21 10:09 | 6.0M | |
| bac blanc 2019.docx | 2021-06-21 10:09 | 1.7M | |
| benzene - 1.png | 2021-06-21 10:09 | 1.1M | |
| benzene.xyz | 2021-06-21 10:09 | 632 | |
| catalytic power.png | 2021-06-21 10:09 | 144K | |
| delta.png | 2021-06-21 10:09 | 67K | |
| densityorbitalNOCV-2'-Th.png | 2021-06-21 10:09 | 354K | |
| densityorbitalNOCV-2'-Zr.png | 2021-06-21 10:09 | 368K | |
| densityorbitalNOCV-2-Th.png | 2021-06-21 10:09 | 380K | |
| densityorbitalNOCV-2-Zr-Si.png | 2021-06-21 10:09 | 263K | |
| densityorbitalNOCV-3-Th.png | 2021-06-21 10:09 | 293K | |
| densityorbitalNOCV-5-Th.png | 2021-06-21 10:09 | 326K | |
| densityorbitalNOCV-6-Th-1.png | 2021-06-21 10:09 | 373K | |
| densityorbitalNOCV-6-Th-2.png | 2021-06-21 10:09 | 373K | |
| densityorbitalNOCV-6-Th-exo.png | 2021-06-21 10:09 | 295K | |
| densityorbitalNOCV-6-Th.png | 2021-06-21 10:09 | 294K | |
| densityorbitalNOCV-E-Th.png | 2021-06-21 10:09 | 396K | |
| dissocurve.png | 2021-06-21 10:09 | 8.7K | |
| dissocurvebenzene.png | 2021-06-21 10:09 | 144K | |
| distancegeomDH.png | 2021-06-21 10:09 | 255K | |
| dragon.png | 2021-06-21 10:09 | 59K | |
| dragon.pptx | 2021-06-21 10:09 | 4.2M | |
| energymolecDH.png | 2021-06-21 10:09 | 252K | |
| ethylene - 1.png | 2021-06-21 10:09 | 1.1M | |
| ethylene.xyz | 2021-06-21 10:09 | 297 | |
| excitedSlaterdet.png | 2021-06-21 10:09 | 45K | |
| figureexpe.pdf | 2021-06-21 10:09 | 102K | |
| figureexpe.pptx | 2021-06-21 10:09 | 1.5M | |
| histoETS-NOCV.xlsx | 2021-06-21 10:09 | 30K | |
| historeactionDH.png | 2021-06-21 10:09 | 198K | |
| isomere8-Zr.png | 2021-06-21 10:09 | 641K | |
| listofcompounds.png | 2021-06-21 10:09 | 392K | |
| logo.png | 2021-06-21 10:09 | 11K | |
| logo.pptx | 2021-06-21 10:09 | 498K | |
| logo_CaPPA_trprt.png | 2021-06-21 10:09 | 72K | |
| logos.png | 2021-06-21 10:09 | 96K | |
| orbital UO2 2+ .pptx | 2021-06-21 10:09 | 424K | |
| orbitales_propres_PuO2.pdf | 2021-06-21 10:09 | 4.4M | |
| orbitales_propres_PuO2OH2.pdf | 2021-06-21 10:09 | 9.9M | |
| orbitales_propres_PuO2OH2.png | 2021-06-21 10:09 | 235K | |
| orbitales_propres_PuO3.pdf | 2021-06-21 10:09 | 4.0M | |
| pes-caspt2-Ag.dat | 2021-06-21 10:09 | 94 | |
| radii.png | 2021-06-21 10:09 | 45K | |
| reaction3-Thto10-Th.png | 2021-06-21 10:09 | 232K | |
| reaction3to6and7.png | 2021-06-21 10:09 | 180K | |
| reaction3to10.png | 2021-06-21 10:09 | 248K | |
| reaction3to12.png | 2021-06-21 10:09 | 225K | |
| reaction4centretransitionstate.png | 2021-06-21 10:09 | 66K | |
| reaction6or7to8.png | 2021-06-21 10:09 | 223K | |
| supRXOpt2Th.png | 2021-06-21 10:09 | 6.9M | |
| superRXOpt-2U.png | 2021-06-21 10:09 | 6.0M | |
| toxicity.png | 2021-06-21 10:09 | 337K | |
| ~$c blanc 2019.docx | 2021-06-21 10:09 | 162 | |