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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2025/self_act_st_cycpr/self_act_st_cycpr_opt 1int1oVillares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-3607.4479145; Eh
thumbnail.jpeg29-Oct-2025/self_act_st_cycpr/self_act_st_cycpr_opt 3int1Villares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDGEN-3607.413862; Eh
thumbnail.jpeg29-Oct-2025/self_act_st_cycpr/self_act_st_cycpr_opt 1ts1oVillares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-3607.4089594; Eh
thumbnail.jpeg29-Oct-2025/self_act_st_cycpr/self_act_st_cycpr_opt 1ts1nVillares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-3607.422863; Eh
thumbnail.jpeg29-Oct-2025/self_act_st_cycpr/self_act_st_cycpr_opt int2nVillares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-3607.4575926; Eh
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