Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_30//m06l_molsimps/Cr_3a1_30 VAC//m06l_molsimps/Cr_3a1_30/VAC HS Cr_3a1_30_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1207.243344; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_32a_35//m06l_molsimps/Ni_32a_35 OH//m06l_molsimps/Ni_32a_35/OH LS//m06l_molsimps/Ni_32a_35/OH/LS back Ni_32a_35_OH_LS-b_3e-1m06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1396.9158841; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_32a_34//m06l_molsimps/Mn_32a_34 OOH//m06l_molsimps/Mn_32a_34/OOH HS Mn_32a_34_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1465.6820292; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_32a_34//m06l_molsimps/Mn_32a_34 VAC//m06l_molsimps/Mn_32a_34/VAC HS Mn_32a_34_VAC_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1314.7397359; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_32a_34//m06l_molsimps/Mn_32a_34 OH//m06l_molsimps/Mn_32a_34/OH HS Mn_32a_34_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1390.5542834; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_26//m06l_molsimps/Ni_3a1_26 VAC//m06l_molsimps/Ni_3a1_26/VAC HS Ni_3a1_26_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1613.4968079; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_oct_desorbed_1_ Ru_pbp_1_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1801.1699285; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_18//m06l_molsimps/Ru_31a_18 VAC//m06l_molsimps/Ru_31a_18/VAC LS Ru_31a_18_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1464.0507614; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_11//m06l_molsimps/Fe_31a_11 OH//m06l_molsimps/Fe_31a_11/OH HS Fe_31a_11_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1609.7312333; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_9_//m06l_molsimps/Fe_31a_9_ VAC//m06l_molsimps/Fe_31a_9_/VAC HS Fe_31a_9_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1549.913748; Eh
Results 121-130 of 565 (Search time: 0.002 seconds).