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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane T2_with_NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1383.67060998; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane T3_without_NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1209.21927339; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane T1_with_NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--3057.74014224; Eh
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.jpeg12-Feb-2019sa-AuRu-0111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--165.39236901; eV
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
Results 11021-11030 of 104079 (Search time: 0.008 seconds).