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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jun-2024/gaussian_without_au C_Stilb_hexBro-Jørgensen, WilliamGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBE6-31G(D)-2337.89658220; Eh
thumbnail.jpeg26-Jun-2024/push_sequence 6Bro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/push_sequence 2Bro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/au C_Stilb_HexBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/gaussian_without_au C_BiPh_HexBro-Jørgensen, WilliamGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31G(D)-2143.97586043; Eh
thumbnail.jpeg26-Jun-2024/gaussian_without_au A_BiPh_cisBro-Jørgensen, WilliamGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31G(D)-2449.71654999; Eh
thumbnail.jpeg26-Jun-2024/gaussian_without_au A_Hex_nBro-Jørgensen, WilliamGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31G(D)-2223.69837380; Eh
thumbnail.jpeg26-Jun-2024/au meta_A_Stilb_transBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/au A_Stilb_transBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/au C_BiPh_HexBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
Results 1-10 of 45 (Search time: 0.0 seconds).