microperoxidase

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-7-5
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/models_type0/species_1_and_2prime doublet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2385.55100109; Eh
thumbnail.jpeg/models_type0/species_1_and_2prime quartet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2385.56129266; Eh
thumbnail.jpeg/models_type0/species_1_and_2prime sextet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2385.54803182; Eh
thumbnail.jpeg/models_type0/species_2_and_3 doublet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2385.13861230; Eh
thumbnail.jpeg/models_type0/species_2_and_3 quartet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2385.12866727; Eh
thumbnail.jpeg/models_type0/species_2_and_3 sextet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2385.13358013; Eh
thumbnail.jpeg/models_type0/species_A_and_B doublet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2309.05872784; Eh
thumbnail.jpeg/models_type0/species_A_and_B quartet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2309.07739771; Eh
thumbnail.jpeg/models_type0/species_A_and_B sextet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2309.06340786; Eh
thumbnail.jpeg/models_type1/species_1 doublet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2555.36233635; Eh
thumbnail.jpeg/models_type1/species_1 quartet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2555.36764882; Eh
thumbnail.jpeg/models_type1/species_1 sextet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2555.35694001; Eh
thumbnail.jpeg/models_type1/species_1 doublet_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2SV DEF2SVP GEN-2553.73886309; Eh
thumbnail.jpeg/models_type1/species_1 quartet_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2SV DEF2SVP GEN-2553.74172580; Eh
thumbnail.jpeg/models_type1/species_1 sextet_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2SV DEF2SVP GEN-2553.73192684; Eh
thumbnail.jpeg/models_type1/species_2 doublet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2554.90161166; Eh
thumbnail.jpeg/models_type1/species_2 quartet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2554.89254622; Eh
thumbnail.jpeg/models_type1/species_2 sextet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2TZVP-2554.89341602; Eh
thumbnail.jpeg/models_type1/species_2 doublet_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2SV DEF2SVP GEN-2553.27925697; Eh
thumbnail.jpeg/models_type1/species_2 quartet_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2SV DEF2SVP GEN-2553.26660241; Eh
Collection's Items (Sorted by in order): 1 to 20 of 121
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