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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/models_type1/species_X singlet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-2608.84283417; Eh
thumbnail.jpeg/models_type1/species_Y singl_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-2608.37019196; Eh
thumbnail.jpeg/models_type1/ligands H2O_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-76.4710155446; Eh
thumbnail.jpeg/models_type1/ligands H2O_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-76.476387; Eh
thumbnail.jpeg/models_type1/ligands ImH_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-226.3332136; Eh
thumbnail.jpeg/models_type1/ligands Im-_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-225.8457018; Eh
thumbnail.jpeg/models_type1/ligands ImH_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-226.329684351; Eh
thumbnail.jpeg/models_type1/ligands Im-_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-225.839469380; Eh
thumbnail.jpeg/models_type1/ligands OH-_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-75.9477195884; Eh
thumbnail.jpeg/models_type2/species_X singlet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-2685.32436131; Eh
thumbnail.jpeg/models_type2/species_X singlet_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2SV DEF2SVP GEN-2683.54068937; Eh
thumbnail.jpeg/models_type2/species_Y singlet_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-2684.85538692; Eh
thumbnail.jpeg/models_type2/species_Y singlet_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2SV DEF2SVP GEN-2683.06770576; Eh
thumbnail.jpeg/models_type2/ligands_diss/H2O_w2 H2O_w2_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-229.424264210; Eh
thumbnail.jpeg/models_type2/ligands_diss/H2O_w2 H2O_w2_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-229.4404829; Eh
thumbnail.jpeg/models_type2/ligands_diss/ImH_w ImH_w_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-302.809239064; Eh
thumbnail.jpeg/models_type2/ligands_diss/Im-_w Im-_w_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-302.326651180; Eh
thumbnail.jpeg/models_type2/ligands_pKa/ImH_w2 ImH_w2_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-379.292509035; Eh
thumbnail.jpeg/models_type2/ligands_pKa/OH-_w3 OH-_w3_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-305.430903103; Eh
thumbnail.jpeg/models_type2/ligands_pKa/OH-_w3 OH-_w3_sv-pMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-305.4468497; Eh
thumbnail.jpeg/models_type2/ligands_pKa/H2O_w3 H2O_w3_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-305.909900041; Eh
thumbnail.jpeg/models_type2/ligands_pKa/Im-_w2 Im-_w2_tzvpMariusz, RadonGaussian; 09; EM64L-G09RevD.01RB3LYPDEF2TZVP-378.813261763; Eh
thumbnail.jpeg/models_type3/species_X singlet_sv-pMariusz, RadonGaussian; 09; ES64L-G09RevD.01RB3LYPDEF2SV DEF2SVP GEN-5695.31557436; Eh
thumbnail.jpeg/models_type3/species_Y singlet_sv-pMariusz, RadonGaussian; 09; ES64L-G09RevD.01RB3LYPDEF2SV DEF2SVP GEN-5694.83599546; Eh
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