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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2025/S9/S9_opt s9_int3obVillares, MarioGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-819.790792678; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_opt s9_ts5oaVillares, MarioGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-4005.46855672; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_opt s9_int1oVillares, MarioGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-4005.40470337; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_opt s9_int4oVillares, MarioGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-4005.47420927; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_opt s9_int2oVillares, MarioGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-819.789237694; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_opt s9_ts1o_2Villares, MarioGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-4005.39753008; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_sp s9_ts4obVillares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-4005.9782361; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_sp s9_ts5oaVillares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-4006.0056029; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_sp s9_ts4oaVillares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-4006.0069382; Eh
thumbnail.jpeg29-Oct-2025/S9/S9_sp s9_ts1o_2Villares, MarioGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDGEN-4005.9466617; Eh
Results 2281-2290 of 2578 (Search time: 0.001 seconds).