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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg14-Jul-2015radicalP8_1Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-196.941584405; Eh
thumbnail.jpeg14-Jul-2015radicalP9_1Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-196.942344476; Eh
thumbnail.jpeg14-Jul-2015radicalP6_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-157.657317416; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts I_N_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-773.142368894; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts I_W_W_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-712.244483121; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts I_W_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-635.799459011; Eh
Results 11031-11040 of 104079 (Search time: 0.008 seconds).