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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_IGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1760.03506717; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_TT_TS2Guo, WentaoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGENECP-14577.8843920; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_TA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPGENECP-14577.8430934; Eh
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