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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_TT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4280.75795019; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPGENECP-4320.06127371; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_TA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95512276; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4280.75404494; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07636395; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07215131; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPGENECP-14577.8622587; 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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