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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Dec-2023/CoTMP2_pathways/no-explicit-THF I5CoMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN-2241.83293166; Eh
Login required23-Dec-2023/CoTMP2_pathways/no-explicit-THF I4CoMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN-2241.80082950; Eh
Login required23-Dec-2023/CoTMP2_pathways/explicit-noncoordinating-THF 1CoMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN-1194.41958009; Eh
thumbnail.jpeg23-Dec-2023/SO2Ph_CO2Bn_Comparison SF5_RadicalWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUwB97XDDEF2TZVP-897.404494084; Eh
Login required23-Dec-2023/CoTMP2_pathways/no-explicit-THF I2Co-SMDMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN-1690.27358683; Eh
thumbnail.jpeg9-Oct-2023H3Ni4(3e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.41719405; Eh
thumbnail.jpeg9-Oct-2023H4Ni4(3e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.92493101; Eh
thumbnail.jpeg9-Oct-2023Ni4(2e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7853.82067940; Eh
thumbnail.jpeg23-Dec-2023/SO2Ph_CO2Bn_Comparison INT2_3Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUwB97XDDEF2TZVP-1833.11767492; Eh
thumbnail.jpeg23-Dec-2023/SO2Ph_CO2Bn_Comparison INT2_1Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUwB97XDDEF2TZVP-1833.08964080; Eh
Results 331-340 of 349 (Search time: 0.002 seconds).