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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane PhSiCl3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1901.90306316; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane I5Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--749.656476781; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--174.447577028; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane H2OFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--76.4289280215; Eh
thumbnail.jpeg14-Jul-2015radicalP9_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-196.941600163; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/dlpno_ccpVQZ HemiaminalPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVQZ; AutoAux-556.00004279; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/dlpno_ccpVQZ WaterPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVQZ; AutoAux-76.07186450; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane Glyoxal_C2hFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--227.826828181; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane LiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--239.131291011; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane H2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1.16787375408; Eh
Results 1721-1730 of 12842 (Search time: 0.004 seconds).