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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_tbp_tNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8111.5588429; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PMe3 NiBrRdppfPMe3_sqbpNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8111.5940213; Eh
thumbnail.jpeg15-Jul-2024/Single-Point_SI_Additional ³I_s1Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ DEF2TZVP GENECP-4348.5976496; Eh
thumbnail.jpeg15-Jul-2024/Single-Point_SI_Additional ³TS_s10Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ DEF2TZVP GENECP-4348.533332; Eh
thumbnail.jpeg15-Jul-2024/Single-Point_SI_Additional ²TS_s9Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GENECP-1445.5409631; Eh
thumbnail.jpeg15-Jul-2024/Single-Point_SI_Additional ²TS_s8Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GENECP-1445.5439864; Eh
thumbnail.jpeg15-Jul-2024/Single-Points ³EᴘʀᴄSharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2782.4179507; Eh
thumbnail.jpeg15-Jul-2024/Single-Points TS6Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-3243.19952; Eh
thumbnail.jpeg15-Jul-2024/Single-Points TS5Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-3010.6098025; Eh
thumbnail.jpeg15-Jul-2024/Single-Points ²LSharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2782.3770552; Eh
Results 561-570 of 748 (Search time: 0.002 seconds).