| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 24-Mar-2026 | /*H*X Coadsorption/*H*I/22 h_x-coadsorption_i_22_cell_fcc_2h_2i | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -28.19465438; eV | | | |
| 24-Mar-2026 | /*H*X Coadsorption/*H*I/22 h_x-coadsorption_i_22_cell_fcc_2i | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -21.44055552; eV | | | |
| 24-Mar-2026 | /*H/44 h_ads_44_cell_fcc_1h_freq | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -89.92965551; eV | | | |
| 24-Mar-2026 | /*Cl/22 cl_ads_22_cell_1cl_fcc_freq | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -23.40064380; eV | | | |
| 24-Mar-2026 | /*Cl/22 cl_ads_22_cell_1cl_fcc | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complex | Single point | DFT | - | -23.40136669; eV | | | |
| 24-Mar-2026 | /*H/22 h_ads_22_cell_hcp_3h | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -32.46181127; eV | | | |
| 24-Mar-2026 | /*H/22 h_ads_22_cell_hcp_2h | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -28.88434784; eV | | | |
| 24-Mar-2026 | /*H/22 h_ads_22_cell_hcp_4h | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -35.93537940; eV | | | |
| 24-Mar-2026 | /*H/44 h_ads_44_cell_fcc_1h | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -89.93048350; eV | | | |
| 24-Mar-2026 | /*H/22 h_ads_22_cell_hcp_1h | Brennan-Pollak, Conor; Fabregat-Santiago, Francisco; Segura-Sanchis, Elena; Mas-Marzá, Elena; Barrantes, MConsuelo; Fenoll Silvestre, Didac Armand; Garcia Melchor, Max; Solera-Rojas, Jose; Mejuto, Carmen | vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex | Single point | DFT | - | -25.23921456; eV | | | |
