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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_TA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPGENECP-14577.8430934; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-4280.76862866; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_SMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-14577.8882695; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4280.74246068; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4547.71836310; Eh
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_CA_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4319.9902614; Eh
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