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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2024B4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.85570528; Eh
thumbnail.jpeg27-Feb-2024B4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.85570528; Eh
Login required18-Oct-2023B5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.88619074; Eh
thumbnail.jpeg27-Feb-2024B5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.88619074; Eh
thumbnail.jpeg27-Feb-2024B5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.88619074; Eh
Login required18-Oct-2023B6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.91379696; Eh
thumbnail.jpeg27-Feb-2024B6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.91379696; Eh
thumbnail.jpeg27-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---
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt01_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt02_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt03_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt04_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt05_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt06_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-