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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-May-2021/DFT/HS/STAGGERED Cr(4,7-Me_ind)2_STAG_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1896.59634712; Eh
thumbnail.jpeg18-May-2021/DFT/HS/ECLIPSED Cr(6-Me_ind)2_EC_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1817.91724310; Eh
thumbnail.jpeg18-May-2021/DFT/HS/ECLIPSED Cr(2-Me_ind)2_EC_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1817.91795874; Eh
thumbnail.jpeg18-May-2021/DFT/HS/ECLIPSED Cr(1,2,3,4,5,6,7-Me_ind)2_EC_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2289.94988659; Eh
thumbnail.jpeg18-May-2021/CASSCF_NEVPT2/LS/ECLIPSED Cr(1-Me_ind)2_EC_lsNavarro, LaiaOrca; 4.0.0.2; RELEASESingle pointROHF; casscf--
thumbnail.jpeg18-May-2021/CASSCF_NEVPT2/LS/ECLIPSED Cr(2-Me_ind)2_EC_lsNavarro, LaiaOrca; 4.0.0.2; RELEASESingle pointROHF; casscf--
thumbnail.jpeg18-May-2021/CASSCF_NEVPT2/LS/ECLIPSED Cr(ind)2_EC_lsNavarro, LaiaOrca; 4.0.0.2; RELEASESingle pointROHF; casscf--
thumbnail.jpeg18-May-2021/CASSCF_NEVPT2/LS/STAGGERED Cr(1,2,3,4,5,6,7-Me_ind)2_STAG_lsNavarro, LaiaOrca; 4.0.0.2; RELEASESingle pointROHF; casscf--
thumbnail.jpeg18-May-2021/CASSCF_NEVPT2/LS/STAGGERED Cr(2,4,5,6,7-Me_ind)2_STAG_lsNavarro, LaiaOrca; 4.0.0.2; RELEASESingle pointROHF; casscf--
thumbnail.jpeg18-May-2021/CASSCF_NEVPT2/LS/STAGGERED Cr(1,2,3-Me_ind)2_STAG_lsNavarro, LaiaOrca; 4.0.0.2; RELEASESingle pointROHF; casscf--
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