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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-2021RP1_-cuhfacac_Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPGENECP-
thumbnail.jpeg9-Jan-2021RP1-cuhfacacKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPGENECP-
thumbnail.jpeg9-Jan-2021RP3-cuhfacacKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPGENECP-
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_cis_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGENECP-4320.15502039; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_fragmentationGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGENECP-4320.13044882; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4320.08731113; 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/triplet_state Bach_iPr_CT_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4320.0206186; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_trans_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4356.05401355; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_cis_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4356.04632807; Eh
Results 121-130 of 149 (Search time: 0.001 seconds).