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Showing results 193678 to 193697 of 193707 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Sep-2019U_di-imide_complexBandeira, NunoADF; 2017Geometry optimizationDFTTZP; DZP; SZ-33.95245448; Eh
Login required18-Sep-2019UO2_complexBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZP; DZP; SZ-28.35056548; Eh
Login required18-Sep-2019Uoxo_complexBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZP; DZP; SZ-31.15074571; Eh
Login required29-Jun-2018/upload Ados Passos Gomes, GabrielGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRM062X--402.909756394; Eh
Login required29-Jun-2018/upload A_gua_complexdos Passos Gomes, GabrielGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRM062X--608.215839587; Eh
Login required29-Jun-2018/upload A_to_B_TSdos Passos Gomes, GabrielGaussian; 09; ES64L-G09RevD.01Single point Structure---402.815738478; Eh
Login required29-Jun-2018/upload Bdos Passos Gomes, GabrielGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRM062X--402.907939999; 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 required29-Jun-2018/upload guados Passos Gomes, GabrielGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRM062X--205.298087544; Eh
Login required29-Jun-2018/upload/Desktop/alec/upload A_to_B_TSdos Passos Gomes, GabrielGaussian; 09; ES64L-G09RevD.01Single point Structure---402.815738478; Eh
Login required29-Jun-2018/upload/Me_oDCB Ados Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization MinimumRM062X--1227.31668289; 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 B1_TSdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Single point Structure---1689.04189703; Eh
Login required29-Jun-2018/upload/Me_oDCB B_TSdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Single point Structure---1689.11875637; 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 C_TSdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization TSRM062X--1227.26739340; 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/prototype Ados Passos Gomes, GabrielGaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumRM062X--596.916243203; Eh