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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2022/Thiophene TS3BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4205.30925089; Eh
thumbnail.jpeg19-Sep-2022/Furan_Ph IM1AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-3882.27360731; Eh
thumbnail.jpeg19-Sep-2022/Furan_Ph TS2A_primeWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-3882.25877281; Eh
thumbnail.jpeg19-Sep-2022/Furan_Cyc IM1BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-3768.15291901; Eh
thumbnail.jpeg19-Sep-2022/Furan_Cyc IM2AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-3768.11275231; Eh
thumbnail.jpeg19-Sep-2022/Furan_Cyc TS2AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-3768.03811953; Eh
thumbnail.jpeg19-Sep-2022/Furan_Cyc TS1AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-3768.03761184; Eh
thumbnail.jpeg19-Sep-2022/Furan_Cyc TS1BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-3768.03778044; Eh
thumbnail.jpeg19-Sep-2022/Indole_NBS IM0Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1121.68406652; Eh
thumbnail.jpeg19-Sep-2022/Indole_I2 IM1AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-2312.25009134; Eh
Results 321-330 of 1082 (Search time: 0.001 seconds).