Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Nov-2019IRC-TS-H6PtW6O24-3e_3HLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.25490668; Eh
thumbnail.jpeg10-Sep-2022iodosulfuron_methyl_Na_CONF182_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Single point Structure---
thumbnail.jpeg9-Jan-202111Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPGENECP-
thumbnail.jpeg18-May-2021/DFT/HS/STAGGERED Cr(2-Me_ind)2_STAG_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1817.91937755; Eh
thumbnail.jpeg24-Jun-2019Mo-9b-alt1Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31+G**-1979.74036353; Eh
thumbnail.jpeg18-May-2021/DFT/HS/STAGGERED Cr(5,6-Me_ind)2_STAG_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1896.58814651; Eh
thumbnail.jpeg18-May-2021/DFT/HS/ECLIPSED Cr(2,4,7-Me_ind)2_EC_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1975.27694669; Eh
thumbnail.jpeg18-May-2021/DFT/HS/ECLIPSED Cr(1,2,3-Me_ind)2_EC_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1975.27246793; Eh
thumbnail.jpeg18-May-2021/DFT/HS/ECLIPSED Cr(5,6-Me_ind)2_EC_hsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-1896.59273629; Eh
thumbnail.jpeg23-Oct-2019TS5_cis_outPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
Results 391-400 of 7940 (Search time: 0.004 seconds).