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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-May-2023DIPy_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--554.00056671; Eh
thumbnail.jpeg3-May-2023Py_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--247.74752514; Eh
thumbnail.jpeg3-May-2023TMSH_gas_ex34_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--409.24631172; Eh
thumbnail.jpeg3-May-2023triflate_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--959.99081983; Eh
thumbnail.jpeg3-May-20237_DMAP_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--688.44848024; Eh
thumbnail.jpeg3-May-2023BCF_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--2203.96440846; Eh
thumbnail.jpeg3-May-20236_OTf_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--1366.18077487; Eh
thumbnail.jpeg3-May-20234_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--406.10575857; Eh
thumbnail.jpeg3-May-2023Bipy_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--494.31606591; Eh
thumbnail.jpeg3-May-2023TMS_cation_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--408.35692919; Eh
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