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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) GEN-308.259205547; Eh
Login required3-Aug-2018rev_TS_guaMe_2dos Passos Gomes, GabrielGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM062X--686.704648052; Eh
Login required3-Aug-2018rev_TS_TBD_dos Passos Gomes, GabrielGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--841.536499015; Eh
Login required3-Aug-2018alkyne_revcat_simpledos Passos Gomes, GabrielGaussian; 16; EM64M-G16RevA.03Geometry optimization MinimumRM062X--116.602735488; Eh
Login required3-Aug-2018allene_revcat_simpledos Passos Gomes, GabrielGaussian; 16; EM64M-G16RevA.03Geometry optimization MinimumRM062X--116.603066261; Eh
Login required29-Jun-2018/upload/Me_oDCB C_TSdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization TSRM062X--1227.26739340; Eh
Login required29-Jun-2018/upload/Me_oDCB A_TSdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization TSRM062X--1227.24904348; Eh
Login required29-Jun-2018/upload/Me_oDCB Bdos Passos Gomes, GabrielGaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumRM062X--1227.27969329; Eh
Login required29-Jun-2018/upload/Me_oDCB Cdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization MinimumRM062X--1227.31956282; Eh
Login required29-Jun-2018/upload/Me_oDCB Ddos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization MinimumRM062X--1227.35045127; Eh
Results 31-40 of 326 (Search time: 0.002 seconds).