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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Mar-2026	/*Br/44 br_ads_44_cell_3br_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; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex	Single point	DFT	-	-90.40644459; eV
	24-Mar-2026	/*Cl/22 cl_ads_22_cell_2cl_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; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex	Single point	DFT	-	-24.05611323; eV
	24-Mar-2026	/*H/22 h_ads_22_cell_fcc_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	-	-32.47062996; eV
	24-Mar-2026	/HX Coadsorption/HCl/22 h_x-coadsorption_cl_22_cell_hcp_1cl_hcp_4h_hcp_evolves-hcl	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	-	-37.34650762; eV
	24-Mar-2026	/HX Coadsorption/HI/44 h_x-coadsorption_i_44_cell_3h_fcc_cont_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	-	-99.79671628; eV
	24-Mar-2026	/HX Coadsorption/HBr/22 h_x-coadsorption_br_22_cell_top_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	-	-26.23733588; eV
	24-Mar-2026	/HX Coadsorption/HBr/22 h_x-coadsorption_br_22_cell_hcp_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	-	-26.50110208; eV
	24-Mar-2026	/HX Coadsorption/HI/44 h_x-coadsorption_i_44_cell_1h_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	-	-92.37268801; eV
	24-Mar-2026	/HX Coadsorption/HI/22 h_x-coadsorption_i_22_cell_fcc_1h_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	-	-24.81628591; eV
	24-Mar-2026	/*I/44 i_ads_44_cell_hcp_4i-hcp_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	-	-89.65216942; eV

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