Cr2M

CC-BY-4.0

Please use this identifier to cite or link to this collection: doi:10.19061/iochem-bd-2-30
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpeg/Cr2Fe/Exp sewardSpivak, MarianoMolcas; 8.0Single point----
thumbnail.jpeg/Cr2Fe/Exp CASSCF_14_13_S=2Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Fe/Exp CASSCF_14_13_S=6Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Fe/230 CASSCF_14_13_S=2Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Fe/230 sewardSpivak, MarianoMolcas; 8.0Single point----
thumbnail.jpeg/Cr2Fe/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP--21.08508090; Eh
thumbnail.jpeg/Cr2Ni/230 sewardSpivak, MarianoMolcas; 8.0Single point----
thumbnail.jpeg/Cr2Ni/230 CASSCF_10_10_S=1Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Ni/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP--20.96003827; Eh
thumbnail.jpeg/Cr2Ni/Exp sewardSpivak, MarianoMolcas; 8.0Single point----
thumbnail.jpeg/Cr2Ni/Exp CASSCF_10_10_S=1Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Zn/Exp sewardSpivak, MarianoMolcas; 8.0Single point----
thumbnail.jpeg/Cr2Zn/Exp CASSCF_S=0Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Zn/Exp CASSCF_S=4Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Zn/230 Geometry_OptizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP--20.83346606; Eh
thumbnail.jpeg/Cr2Zn/230 CASSCF_S=0Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/Cr2Zn/230 sewardSpivak, MarianoMolcas; 8.0Single point----
thumbnail.jpeg/dpa Cr2dpa4_exp_casscfSpivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/dpa Cr2dpa4_2_30_8Spivak, MarianoMolcas; 8.0Single pointCASSCF---
thumbnail.jpeg/dpa Cr2dpa4_2_30Spivak, MarianoMolcas; 8.0Single pointCASSCF---
Collection's Items (Sorted by in order): 1 to 20 of 25
RSS Feed RSS Feed RSS Feed