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Showing results 1 to 20 of 100  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Feb-20241adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1160.79568426; Eh
Login required27-Feb-20242adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1159.73333889; Eh
thumbnail.jpeg15-Dec-20212g_(from_endo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.8159023; Eh
thumbnail.jpeg15-Dec-20212g_(from_exo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.8159023; Eh
Login required27-Feb-20243adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1160.95268511; Eh
Login required27-Feb-2024A1diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.82055848; Eh
Login required27-Feb-2024A10diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.33560176; Eh
Login required27-Feb-2024A11diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2644.57753104; Eh
Login required27-Feb-2024A1Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.81691774; Eh
Login required27-Feb-2024A2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.83388484; Eh
Login required27-Feb-2024A2Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.83838898; Eh
Login required27-Feb-2024A3diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.84782193; Eh
Login required27-Feb-2024A3Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.85053876; Eh
Login required27-Feb-2024A4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.87617818; Eh
Login required27-Feb-2024A4_Externaldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2846.51224360; Eh
Login required27-Feb-2024A4_Internaldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2807.20092320; Eh
Login required27-Feb-2024A4_Tosyldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2998.95836006; Eh
Login required27-Feb-2024A4Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.85166482; Eh
Login required27-Feb-2024A4Prim_Tosyldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2998.93586375; Eh
Login required27-Feb-2024A5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.33799171; Eh
Showing results 1 to 20 of 100  next >