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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_3a1_17 OH//m06l_molsimps/Co_3a1_17/OH LS Co_3a1_17_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1744.7340515; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_3a1_13 OH//m06l_molsimps/Co_3a1_13/OH LS Co_3a1_13_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1930.3834604; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_30 VAC//m06l_molsimps/Co_31a_30/VAC HS Co_31a_30_VAC_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1266.0125239; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_30 OOH//m06l_molsimps/Co_31a_30/OOH LS Co_31a_30_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1416.9588127; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_30 OH//m06l_molsimps/Co_31a_30/OH LS Co_31a_30_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1341.8258208; Eh
Login required27-Sep-2021SCO_M06L_S2_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-4399.59704135; Eh
Login required27-Sep-2021SCO_M06L_S3_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2866.15647372; Eh
Login required27-Sep-2021SCO_M06L_S4_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2718.89914591; Eh
Login required27-Sep-2021SCO_M06L_S1_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-3158.14629543; Eh
Login required27-Sep-2021SCO_M06L_S5_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2708.79600453; Eh
Results 541-550 of 557 (Search time: 0.002 seconds).