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Materials_cloud_archive
- adsorption-results_by-framework.xls
  
  3.1 MB
- figures_ddec-vs-eqeq-vs-mepo_by-atom
  - 11_Na_eqeq+mepo-charges.png
    
    302.6 kB
  - 12_Mg_eqeq+mepo-charges.png
    
    281.8 kB
  - 13_Al_eqeq+mepo-charges.png
    
    286.9 kB
  - 14_Si_eqeq+mepo-charges.png
    
    278.6 kB
  - 15_P_eqeq+mepo-charges.png
    
    338.6 kB
  - 16_S_eqeq+mepo-charges.png
    
    355.8 kB
  - 17_Cl_eqeq+mepo-charges.png
    
    338.4 kB
  - 19_K_eqeq+mepo-charges.png
    
    279.6 kB
  - 1_H_eqeq+mepo-charges.png
    
    404.8 kB
  - 20_Ca_eqeq+mepo-charges.png
    
    278.5 kB
  - 21_Sc_eqeq+mepo-charges.png
    
    268.0 kB
  - 22_Ti_eqeq+mepo-charges.png
    
    267.8 kB
  - 23_V_eqeq+mepo-charges.png
    
    330.1 kB
  - 24_Cr_eqeq+mepo-charges.png
    
    288.3 kB
  - 25_Mn_eqeq+mepo-charges.png
    
    377.2 kB
  - 26_Fe_eqeq+mepo-charges.png
    
    334.1 kB
  - 27_Co_eqeq+mepo-charges.png
    
    329.4 kB
  - 28_Ni_eqeq+mepo-charges.png
    
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  - 29_Cu_eqeq+mepo-charges.png
    
    460.0 kB
  - 30_Zn_eqeq+mepo-charges.png
    
    334.3 kB
  - 31_Ga_eqeq+mepo-charges.png
    
    305.1 kB
  - 32_Ge_eqeq+mepo-charges.png
    
    264.3 kB
  - 33_As_eqeq+mepo-charges.png
    
    263.9 kB
  - 34_Se_eqeq+mepo-charges.png
    
    263.2 kB
  - 35_Br_eqeq+mepo-charges.png
    
    284.8 kB
  - 37_Rb_eqeq+mepo-charges.png
    
    270.2 kB
  - 38_Sr_eqeq+mepo-charges.png
    
    277.1 kB
  - 39_Y_eqeq+mepo-charges.png
    
    281.3 kB
  - 3_Li_eqeq+mepo-charges.png
    
    289.9 kB
  - 41_Nb_eqeq+mepo-charges.png
    
    267.6 kB
  - 42_Mo_eqeq+mepo-charges.png
    
    319.6 kB
  - 44_Ru_eqeq+mepo-charges.png
    
    263.0 kB
  - 45_Rh_eqeq+mepo-charges.png
    
    263.4 kB
  - 46_Pd_eqeq+mepo-charges.png
    
    262.5 kB
  - 47_Ag_eqeq+mepo-charges.png
    
    315.6 kB
  - 48_Cd_eqeq+mepo-charges.png
    
    304.2 kB
  - 49_In_eqeq+mepo-charges.png
    
    293.2 kB
  - 4_Be_eqeq+mepo-charges.png
    
    263.5 kB
  - 50_Sn_eqeq+mepo-charges.png
    
    267.2 kB
  - 51_Sb_eqeq+mepo-charges.png
    
    264.4 kB
  - 52_Te_eqeq+mepo-charges.png
    
    266.5 kB
  - 53_I_eqeq+mepo-charges.png
    
    284.6 kB
  - 55_Cs_eqeq+mepo-charges.png
    
    269.1 kB
  - 56_Ba_eqeq+mepo-charges.png
    
    304.2 kB
  - 57_La_eqeq+mepo-charges.png
    
    321.4 kB
  - 5_B_eqeq+mepo-charges.png
    
    271.8 kB
  - 6_C_eqeq+mepo-charges.png
    
    689.4 kB
  - 72_Hf_eqeq+mepo-charges.png
    
    262.4 kB
  - 74_W_eqeq+mepo-charges.png
    
    299.6 kB
  - 75_Re_eqeq+mepo-charges.png
    
    265.2 kB
  - 77_Ir_eqeq+mepo-charges.png
    
    259.9 kB
  - 78_Pt_eqeq+mepo-charges.png
    
    265.7 kB
  - 79_Au_eqeq+mepo-charges.png
    
    268.4 kB
  - 7_N_eqeq+mepo-charges.png
    
    438.5 kB
  - 80_Hg_eqeq+mepo-charges.png
    
    263.3 kB
  - 82_Pb_eqeq+mepo-charges.png
    
    268.4 kB
  - 83_Bi_eqeq+mepo-charges.png
    
    273.5 kB
  - 8_O_eqeq+mepo-charges.png
    
    581.1 kB
- figures_ddec-vs-iqeq_by-atom
  - 11_Na_eqeq-charges.png
    
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  - 12_Mg_eqeq-charges.png
    
    94.1 kB
  - 13_Al_eqeq-charges.png
    
    92.6 kB
  - 14_Si_eqeq-charges.png
    
    93.1 kB
  - 15_P_eqeq-charges.png
    
    108.8 kB
  - 16_S_eqeq-charges.png
    
    116.0 kB
  - 17_Cl_eqeq-charges.png
    
    105.4 kB
  - 19_K_eqeq-charges.png
    
    94.2 kB
  - 20_Ca_eqeq-charges.png
    
    94.1 kB
  - 21_Sc_eqeq-charges.png
    
    91.6 kB
  - 22_Ti_eqeq-charges.png
    
    91.9 kB
  - 23_V_eqeq-charges.png
    
    98.8 kB
  - 24_Cr_eqeq-charges.png
    
    94.7 kB
  - 25_Mn_eqeq-charges.png
    
    109.1 kB
  - 26_Fe_eqeq-charges.png
    
    104.1 kB
  - 27_Co_eqeq-charges.png
    
    106.6 kB
  - 28_Ni_eqeq-charges.png
    
    104.8 kB
  - 29_Cu_eqeq-charges.png
    
    118.7 kB
  - 30_Zn_eqeq-charges.png
    
    106.5 kB
  - 31_Ga_eqeq-charges.png
    
    92.9 kB
  - 32_Ge_eqeq-charges.png
    
    91.6 kB
  - 33_As_eqeq-charges.png
    
    91.9 kB
  - 34_Se_eqeq-charges.png
    
    91.8 kB
  - 35_Br_eqeq-charges.png
    
    94.0 kB
  - 37_Rb_eqeq-charges.png
    
    92.3 kB
  - 38_Sr_eqeq-charges.png
    
    94.4 kB
  - 39_Y_eqeq-charges.png
    
    93.1 kB
  - 41_Nb_eqeq-charges.png
    
    92.3 kB
  - 42_Mo_eqeq-charges.png
    
    102.5 kB
  - 44_Ru_eqeq-charges.png
    
    91.4 kB
  - 45_Rh_eqeq-charges.png
    
    91.8 kB
  - 46_Pd_eqeq-charges.png
    
    91.6 kB
  - 47_Ag_eqeq-charges.png
    
    103.6 kB
  - 48_Cd_eqeq-charges.png
    
    107.3 kB
  - 49_In_eqeq-charges.png
    
    96.2 kB
  - 4_Be_eqeq-charges.png
    
    91.2 kB
  - 50_Sn_eqeq-charges.png
    
    91.5 kB
  - 51_Sb_eqeq-charges.png
    
    91.7 kB
  - 52_Te_eqeq-charges.png
    
    91.4 kB
  - 53_I_eqeq-charges.png
    
    95.1 kB
  - 55_Cs_eqeq-charges.png
    
    92.0 kB
  - 56_Ba_eqeq-charges.png
    
    95.5 kB
  - 57_La_eqeq-charges.png
    
    98.9 kB
  - 5_B_eqeq-charges.png
    
    93.2 kB
  - 6_C_eqeq-charges.png
    
    138.6 kB
  - 72_Hf_eqeq-charges.png
    
    90.9 kB
  - 74_W_eqeq-charges.png
    
    98.9 kB
  - 75_Re_eqeq-charges.png
    
    92.5 kB
  - 77_Ir_eqeq-charges.png
    
    90.6 kB
  - 78_Pt_eqeq-charges.png
    
    91.8 kB
  - 7_N_eqeq-charges.png
    
    130.8 kB
  - 80_Hg_eqeq-charges.png
    
    91.6 kB
  - 82_Pb_eqeq-charges.png
    
    93.0 kB
  - 83_Bi_eqeq-charges.png
    
    93.2 kB
  - 8_O_eqeq-charges.png
    
    168.6 kB
  - 9_F_eqeq-charges.png
    
    96.3 kB
- figures_ddec-vs-pqeq-vs-mepo_by-atom
  - 11_Na_pqeq+mepo-charges.png
    
    239.5 kB
  - 12_Mg_pqeq+mepo-charges.png
    
    228.2 kB
  - 13_Al_pqeq+mepo-charges.png
    
    227.4 kB
  - 14_Si_pqeq+mepo-charges.png
    
    226.1 kB
  - 15_P_pqeq+mepo-charges.png
    
    267.5 kB
  - 16_S_pqeq+mepo-charges.png
    
    267.5 kB
  - 17_Cl_pqeq+mepo-charges.png
    
    263.7 kB
  - 19_K_pqeq+mepo-charges.png
    
    228.9 kB
  - 1_H_pqeq+mepo-charges.png
    
    243.2 kB
  - 20_Ca_pqeq+mepo-charges.png
    
    229.6 kB
  - 21_Sc_pqeq+mepo-charges.png
    
    220.6 kB
  - 22_Ti_pqeq+mepo-charges.png
    
    219.2 kB
  - 23_V_pqeq+mepo-charges.png
    
    249.5 kB
  - 24_Cr_pqeq+mepo-charges.png
    
    231.1 kB
  - 25_Mn_pqeq+mepo-charges.png
    
    250.7 kB
  - 26_Fe_pqeq+mepo-charges.png
    
    250.3 kB
  - 27_Co_pqeq+mepo-charges.png
    
    249.4 kB
  - 28_Ni_pqeq+mepo-charges.png
    
    256.8 kB
  - 29_Cu_pqeq+mepo-charges.png
    
    270.9 kB
  - 30_Zn_pqeq+mepo-charges.png
    
    263.1 kB
  - 31_Ga_pqeq+mepo-charges.png
    
    232.0 kB
  - 32_Ge_pqeq+mepo-charges.png
    
    220.0 kB
  - 33_As_pqeq+mepo-charges.png
    
    219.8 kB
  - 34_Se_pqeq+mepo-charges.png
    
    219.4 kB
  - 35_Br_pqeq+mepo-charges.png
    
    232.5 kB
  - 37_Rb_pqeq+mepo-charges.png
    
    222.2 kB
  - 38_Sr_pqeq+mepo-charges.png
    
    229.3 kB
  - 39_Y_pqeq+mepo-charges.png
    
    228.0 kB
  - 3_Li_pqeq+mepo-charges.png
    
    234.1 kB
  - 41_Nb_pqeq+mepo-charges.png
    
    220.4 kB
  - 42_Mo_pqeq+mepo-charges.png
    
    249.1 kB
  - 44_Ru_pqeq+mepo-charges.png
    
    218.2 kB
  - 45_Rh_pqeq+mepo-charges.png
    
    219.3 kB
  - 46_Pd_pqeq+mepo-charges.png
    
    217.8 kB
  - 47_Ag_pqeq+mepo-charges.png
    
    260.4 kB
  - 48_Cd_pqeq+mepo-charges.png
    
    254.6 kB
  - 49_In_pqeq+mepo-charges.png
    
    235.7 kB
  - 4_Be_pqeq+mepo-charges.png
    
    218.8 kB
  - 50_Sn_pqeq+mepo-charges.png
    
    221.5 kB
  - 51_Sb_pqeq+mepo-charges.png
    
    219.9 kB
  - 52_Te_pqeq+mepo-charges.png
    
    220.7 kB
  - 53_I_pqeq+mepo-charges.png
    
    228.3 kB
  - 55_Cs_pqeq+mepo-charges.png
    
    220.5 kB
  - 56_Ba_pqeq+mepo-charges.png
    
    228.9 kB
  - 57_La_pqeq+mepo-charges.png
    
    240.0 kB
  - 5_B_pqeq+mepo-charges.png
    
    222.5 kB
  - 6_C_pqeq+mepo-charges.png
    
    333.0 kB
  - 72_Hf_pqeq+mepo-charges.png
    
    217.0 kB
  - 74_W_pqeq+mepo-charges.png
    
    241.4 kB
  - 75_Re_pqeq+mepo-charges.png
    
    220.7 kB
  - 77_Ir_pqeq+mepo-charges.png
    
    216.8 kB
  - 78_Pt_pqeq+mepo-charges.png
    
    219.3 kB
  - 79_Au_pqeq+mepo-charges.png
    
    219.8 kB
  - 7_N_pqeq+mepo-charges.png
    
    279.9 kB
  - 80_Hg_pqeq+mepo-charges.png
    
    218.8 kB
  - 82_Pb_pqeq+mepo-charges.png
    
    221.4 kB
  - 83_Bi_pqeq+mepo-charges.png
    
    223.8 kB
  - 8_O_pqeq+mepo-charges.png
    
    313.0 kB
  - 9_F_pqeq+mepo-charges.png
    
    239.7 kB
- inputs_eqeq
  - chargecenters.dat_ox
    
    491 Bytes
  - chargecenters.dat_zero
    
    491 Bytes
  - ionizationdata.dat_def2
    
    4.5 kB
  - ionizationdata.dat_exp
    
    6.0 kB
- inputs_fcqeq-iqeq
  - AtomData.sad_def2
    
    333.7 kB
  - AtomData.sad_exp+def2
    
    286.7 kB

Qeq_inputs_outputs.zip