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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Aug-2020SiW11-Fe-HNOLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.28176909; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS1Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.25316285; Eh
thumbnail.jpeg18-May-2021/ECLIPSED Cr(6-Me_ind)2_EC_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1817.91855069; Eh
thumbnail.jpeg18-May-2021/STAGGERED Cr(2,4,7-Me_ind)2_STAG_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1975.28076608; Eh
thumbnail.jpeg18-May-2021/STAGGERED Cr(1-Me_ind)2_STAG_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1817.91756366; Eh
thumbnail.jpeg18-May-2021/ECLIPSED Cr(2,4,7-Me_ind)2_EC_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1975.28091762; Eh
thumbnail.jpeg18-May-2021/ECLIPSED Cr(1,2,3-Me_ind)2_EC_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1975.27537003; Eh
thumbnail.jpeg18-May-2021/STAGGERED Cr(1,3-Me_ind)2_STAG_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1896.59674013; Eh
thumbnail.jpeg18-May-2021/DFT/HS/ECLIPSED Cr(2,4,5,6,7-Me_ind)2_EC_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-2132.61547579; Eh
thumbnail.jpeg18-May-2021/DFT/HS/STAGGERED Cr(1,2,3-Me_ind)2_STAG_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1975.27554618; Eh
Results 1-10 of 115 (Search time: 0.004 seconds).