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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Mar-2026	/HX Coadsorption/HCl/22 h_x-coadsorption_cl_22_cell_fcc_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	-	-26.87822751; eV
	24-Mar-2026	/HX Coadsorption/HCl/22 h_x-coadsorption_cl_22_cell_fcc_2cl_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	-	-23.30197335; eV
	24-Mar-2026	/HX Coadsorption/HCl/44 h_x-coadsorption_cl_44_cell_2h_3cl_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	-	-99.08012924; eV
	24-Mar-2026	/HX Coadsorption/HCl/22 h_x-coadsorption_cl_22_cell_fcc_1h_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	-	-26.87879504; eV
	24-Mar-2026	/HX Coadsorption/HCl/44 h_x-coadsorption_cl_44_cell_2h_2cl_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	-	-97.37689954; eV
	24-Mar-2026	/HX Coadsorption/HCl/44 h_x-coadsorption_cl_44_cell_7h_7cl	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	-	-121.56304406; eV
	24-Mar-2026	/HX Coadsorption/HCl/44 h_x-coadsorption_cl_44_cell_3h_3cl	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	-	-102.99198245; eV
	24-Mar-2026	/HX Coadsorption/HCl/44 h_x-coadsorption_cl_44_cell_2h_2cl	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	-	-97.37751729; eV
	24-Mar-2026	/HX Coadsorption/HCl/44 h_x-coadsorption_cl_44_cell_4h_4cl	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	-	-108.32589465; eV
	24-Mar-2026	/HX Coadsorption/HBr/22 h_x-coadsorption_br_22_cell_fcc_1br_3h_evolve	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	-	-33.92614110; eV

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