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Showing results 252634 to 252653 of 319134 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Sep-2022inpyrfluxam_CONF9_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1137.86819486; Eh
thumbnail.jpeg15-Nov-2022inpyrfluxam_CONF9_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1138.2044921; Eh
thumbnail.jpeg9-Sep-2022inpyrfluxam_CONF9_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1137.88947927; Eh
thumbnail.jpeg15-Nov-2022inpyrfluxam_CONF9_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1138.1977433; Eh
thumbnail.jpeg9-Sep-2022inpyrfluxam_CONF9_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1137.88090819; Eh
thumbnail.jpeg28-Apr-2023Int-I_16Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XD6-31+G(D,P)-2631.71906554; Eh
thumbnail.jpeg27-Jul-2023INT1Ahmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-2394.76437553; Eh
thumbnail.jpeg28-Feb-2024Int1Alves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1294.79953901; Eh
thumbnail.jpeg28-Feb-2024Int10(1-C)Alves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1296.73697248; Eh
thumbnail.jpeg7-Apr-2024Int10_6-membersAlves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1101.55243495; Eh
thumbnail.jpeg28-Feb-2024Int11Alves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1296.72490166; Eh
thumbnail.jpeg28-Feb-2024Int12Alves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1525.64986435; Eh
thumbnail.jpeg28-Feb-2024Int13(1-D)Alves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1525.65789724; Eh
thumbnail.jpeg28-Feb-2024Int14Alves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1525.65713653; Eh
thumbnail.jpeg28-Feb-2024int1_AAlves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1294.79953901; Eh
thumbnail.jpeg28-Feb-2024int1_BAlves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1294.79477722; Eh
thumbnail.jpeg28-Feb-2024int1_CAlves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1294.78643906; Eh
thumbnail.jpeg27-Jul-2023INT2Ahmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-2394.77214847; Eh
thumbnail.jpeg28-Feb-2024Int2Alves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1294.80148043; Eh
thumbnail.jpeg28-Feb-2024int2_AAlves, ErickGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP-1294.80148043; Eh
Showing results 252634 to 252653 of 319134 < previous   next >