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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Feb-2024A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
Login required27-Feb-2024A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
Login required27-Feb-2024A8diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.30985174; Eh
Login required27-Feb-2024A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.32948240; Eh
thumbnail.jpeg29-Jan-2024alpha_int_2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_int_3Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_int_4Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_ts_1Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_ts_2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
Login required27-Feb-2024B1diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.81185798; Eh
Login required27-Feb-2024B2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.83792773; Eh
Login required27-Feb-2024B3diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.82902186; Eh
Login required27-Feb-2024B4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.85570528; Eh
Login required27-Feb-2024B5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.88619074; Eh
Login required27-Feb-2024B6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.91379696; Eh
thumbnail.jpeg29-Jan-2024beta_int_2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024beta_int_3Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024beta_int_4Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024beta_ts_1Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024beta_ts_2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---