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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2022/DDQ IM5BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-2756.00349004; Eh
thumbnail.jpeg19-Sep-2022/Common_Structures Br_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point MinimumRM062XDEF2SVP-2574.02294397; Eh
thumbnail.jpeg19-Sep-2022/Thiophene P_cisWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-860.795296332; Eh
thumbnail.jpeg19-Sep-2022/Thiophene TS3B_primeWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4205.30373289; Eh
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
Results 71-80 of 108 (Search time: 0.001 seconds).