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Showing results 1 to 20 of 130  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-20241adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1160.79568426; Eh
Login required27-Oct-20251aArtigas, AlbertGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ-1185.2413865; Eh
thumbnail.jpeg27-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
thumbnail.jpeg27-Feb-20243adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1160.95268511; Eh
Login required27-Oct-20253c_endoArtigas, AlbertGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ-1983.1233485; Eh
Login required27-Oct-20253c_exoArtigas, AlbertGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ-1983.1201217; Eh
Login required27-Oct-20254c_endoArtigas, AlbertGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ-1584.2228635; Eh
Login required27-Oct-20254c_exoArtigas, AlbertGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ-1584.2259718; Eh
thumbnail.jpeg27-Feb-2024A1diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.82055848; Eh
thumbnail.jpeg27-Feb-2024A10diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.33560176; Eh
thumbnail.jpeg27-Feb-2024A11diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2644.57753104; Eh
thumbnail.jpeg27-Feb-2024A1Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.81691774; Eh
thumbnail.jpeg27-Feb-2024A2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.83388484; Eh
thumbnail.jpeg27-Feb-2024A2Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.83838898; Eh
thumbnail.jpeg27-Feb-2024A3diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.84782193; Eh
thumbnail.jpeg27-Feb-2024A3Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.85053876; Eh
thumbnail.jpeg27-Feb-2024A4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.87617818; Eh
thumbnail.jpeg27-Feb-2024A4_Externaldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2846.51224360; Eh
Showing results 1 to 20 of 130  next >