Datasets:
File size: 6,596 Bytes
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"energy_columns": [
{
"slug": "energy_dlpno_ccsd_t",
"display_name": "DLPNO-CCSD(T)",
"is_reference": true,
"units": "hartree"
},
{
"slug": "energy_b2gp_plyp_d4",
"display_name": "B2GP-PLYP-D4",
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},
{
"slug": "energy_b2plyp_d4",
"display_name": "B2PLYP-D4",
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"units": "hartree"
},
{
"slug": "energy_b3lyp_d4",
"display_name": "B3LYP-D4",
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},
{
"slug": "energy_b3pw91_d4",
"display_name": "B3PW91-D4",
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"units": "hartree"
},
{
"slug": "energy_b97_d3_op",
"display_name": "B97-D3(op)",
"is_reference": false,
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},
{
"slug": "energy_b97m_v",
"display_name": "B97M-V",
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},
{
"slug": "energy_blyp_d4",
"display_name": "BLYP-D4",
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},
{
"slug": "energy_cam_b3lyp_d4",
"display_name": "CAM-B3LYP-D4",
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},
{
"slug": "energy_hf_d4",
"display_name": "HF-D4",
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},
{
"slug": "energy_kappapr2scan50_d4",
"display_name": "\u03baPr2SCAN50-D4",
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},
{
"slug": "energy_lc_omegapbe08_d3_bj",
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},
{
"slug": "energy_lrc_omegapbe_d3_bj",
"display_name": "LRC-\u03c9PBE-D3(BJ)",
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},
{
"slug": "energy_lrc_omegapbeh_d3",
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},
{
"slug": "energy_m05_2x_d3",
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{
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},
{
"slug": "energy_m06_2x_d3",
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},
{
"slug": "energy_m06_hf_d3",
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},
{
"slug": "energy_m06_l_d4",
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{
"slug": "energy_mn15_d3",
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},
{
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{
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},
{
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{
"slug": "energy_pbe_d4",
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},
{
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{
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{
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{
"slug": "energy_pr2scan50_d4",
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},
{
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{
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{
"slug": "energy_pw91_d4",
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},
{
"slug": "energy_pwpb95_d4",
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{
"slug": "energy_r2scan_d4",
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},
{
"slug": "energy_r2scan0_d4",
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{
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},
{
"slug": "energy_r2scanh_d4",
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},
{
"slug": "energy_rev_dsd_pbep86_d4",
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{
"slug": "energy_tpss_d4",
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},
{
"slug": "energy_tpssh_d4",
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{
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{
"slug": "energy_omegab97m_v",
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{
"slug": "energy_omegab97x_d4",
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{
"slug": "energy_omegab97x_2_d3_bj",
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},
{
"slug": "energy_omegab97x_v",
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},
{
"slug": "energy_omegam06_d3",
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},
{
"slug": "energy_omegar2scan_d4",
"display_name": "\u03c9r2SCAN-D4",
"is_reference": false,
"units": "hartree"
},
{
"slug": "energy_x3lyp_d4",
"display_name": "X3LYP-D4",
"is_reference": false,
"units": "hartree"
}
]
}
|