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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required29-Jun-2018/upload guados Passos Gomes, GabrielGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRM062X--205.298087544; Eh
Login required29-Jun-2018/upload Ados Passos Gomes, GabrielGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRM062X--402.909756394; Eh
Login required29-Jun-2018/upload B_an_Phdos Passos Gomes, GabrielGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X--386.272170812; Eh
Login required29-Jun-2018/upload B_gua_complexdos Passos Gomes, GabrielGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRM062X--608.216492277; Eh
Login required3-Aug-2018alkyne_revcat_simpledos Passos Gomes, GabrielGaussian; 16; EM64M-G16RevA.03Geometry optimization MinimumRM062X--116.602735488; Eh
Login required3-Aug-2018rev_TS_guaMe_2dos Passos Gomes, GabrielGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM062X--686.704648052; Eh
Login required29-Jun-2018/upload/prototype Ados Passos Gomes, GabrielGaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumRM062X--596.916243203; Eh
Login required3-Aug-2018rev_Pcatdos Passos Gomes, GabrielGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRM062X--719.226003329; Eh
Login required29-Jun-2018/upload/Me_oDCB Ddos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization MinimumRM062X--1227.35045127; Eh
Login required29-Jun-2018/upload/Me_oDCB Ados Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization MinimumRM062X--1227.31668289; Eh
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