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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_cis_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPGENECP-4280.84064246; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aabbGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-11163.2331822; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaabGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-11163.2330458; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaaaGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-11163.2511410; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_fragmentationGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-4280.81033971; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_trans_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-4280.84268342; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_SMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-4280.77919553; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_fragmentationGuo, WentaoGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPGENECP-14577.9156360; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_cis_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPGENECP-14577.9435546; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_trans_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-4320.15938303; Eh
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