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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Jul-2024/Single-Points dtbbpySharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPDEF2TZVPP-810.3038345; Eh
thumbnail.jpeg15-Jul-2024/Single-Points HClSharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPDEF2TZVPP-460.841374; Eh
thumbnail.jpeg15-Jul-2024/Single-Points HBrSharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPDEF2TZVPP-2574.7941651; Eh
thumbnail.jpeg15-Jul-2024/Single-Points K₂HPO₄Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPDEF2TZVPP-1843.2191386; Eh
thumbnail.jpeg15-Jul-2024/Single-Points K₃PO₄Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPDEF2TZVPP-2442.6016242; Eh
thumbnail.jpeg15-Jul-2024/Single-Points KClSharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPDEF2TZVPP-1060.2743048; Eh
thumbnail.jpeg15-Jul-2024/Single-Points HISharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPDEF2TZVPP-298.4081757; Eh
thumbnail.jpeg15-Jul-2024/Single-Points THF•ᐧᐧᐧHISharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-530.3236105; Eh
thumbnail.jpeg15-Jul-2024/Single-Points THF•ᐧᐧᐧTHFSharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-464.4828217; Eh
thumbnail.jpeg15-Jul-2024/Single-Points Ph•ᐧᐧᐧTHFSharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-464.2477824; Eh
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