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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-Sep-2022/Thiophene P_cisWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-860.795296332; Eh
Login required19-Sep-2022/Thiophene IM0Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1271.69896575; Eh
Login required19-Sep-2022/Thiophene TS3B_primeWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4205.30373289; Eh
Login required19-Sep-2022/Thiophene TS1BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4205.19474136; Eh
Login required19-Sep-2022/Thiophene TS4BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-3845.48279586; Eh
Login required19-Sep-2022/Furan_Ph IM1AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-3882.27360731; Eh
Login required19-Sep-2022/Thiophene TS2AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4205.19004981; Eh
Login required19-Sep-2022/Thiophene TS3BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4205.30925089; Eh
Login required19-Sep-2022/Thiophene TS4AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4205.29804128; Eh
Login required19-Sep-2022/Thiophene TS2BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point StructureRM062XDEF2SVP-4205.30676242; Eh
Results 311-320 of 493 (Search time: 0.002 seconds).