Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jun-2024/gaussian_without_au A_BiPh_transBro-Jørgensen, WilliamGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31G(D)-2449.70917424; Eh
thumbnail.jpeg26-Jun-2024/siesta_without_au C_stilb_hexBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/push_sequence 5Bro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
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/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 C_BiPhBro-Jørgensen, WilliamGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31G(D)-2369.97166131; 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/siesta_without_au CBiPh_Hex_PhSMeBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915Geometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/siesta_without_au AHex_cis_nBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915Geometry optimizationGGAPBE-----
thumbnail.jpeg26-Jun-2024/siesta_without_au C_stilbBro-Jørgensen, WilliamSiesta; 5.0.0-alpha-76-gf0a1dd915-dirtyGeometry optimizationGGAPBE-----
Results 1-10 of 45 (Search time: 0.0 seconds).