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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2022/DDQ IM5AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-2755.90503651; Eh
thumbnail.jpeg19-Sep-2022/DDQ IM7AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-2755.96737515; Eh
thumbnail.jpeg19-Sep-2022/Common_Structures Succinimide_BpinWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-770.507343368; Eh
thumbnail.jpeg19-Sep-2022/Thiophene IM0Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1271.69896575; Eh
thumbnail.jpeg19-Sep-2022/Thiophene IM3AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-4205.30368852; Eh
thumbnail.jpeg19-Sep-2022/Thiophene IM2BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-4205.33118641; Eh
thumbnail.jpeg19-Sep-2022/Furan_Ph IM1BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-3882.37523549; Eh
thumbnail.jpeg19-Sep-2022/Furan_Ph IM0Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-948.768545000; Eh
thumbnail.jpeg19-Sep-2022/Furan_Ph IM2A_primeWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-3882.33912844; Eh
thumbnail.jpeg19-Sep-2022/Furan_Ph IM2BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-3882.40530127; Eh
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