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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-May-2024/TS_and_displacement_SiMe2Ph SiMe2Ph-forward_displacementPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2660.25652984; Eh
Login required20-May-2024/Silanes SiMeOTMS2-opt-thfPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1299.04677998; Eh
Login required20-May-2024/Silanes SiMe2PhH-opt-thfPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) GEN-601.491144197; Eh
Login required20-May-2024/Silanes SiH3Ph-opt-thfPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) GEN-522.848920899; Eh
Login required8-Apr-2024/figureS2 12I1EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75327141; Eh
Login required8-Apr-2024/figureS2 12I4EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75438261; Eh
Login required8-Apr-2024/figureS2 12I3EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75764311; Eh
Login required8-Apr-2024/figureS2 12I2EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75250574; Eh
Login required8-Apr-2024/figureS2 12IEMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1106.64514147; Eh
thumbnail.jpeg7-May-2024c5ab-cp-preCambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1281.32225855; Eh
Results 511-520 of 624 (Search time: 0.002 seconds).