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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Apr-2026	/NOx_adsorbates/NO3/flat/025ML_H/bridge no3_flat_025ML_bridge-freq	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complex	Single point	DFT	-	-81.32939122; eV
	13-Apr-2026	/NOx_adsorbates/NO3/flat/bare/fcc no3_flat_bare_fcc	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-68.76087148; eV
	13-Apr-2026	/Surfaces_H/Ag3/1H/hcp_d ag3_1h_hcp-d_opt	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.1; 05Apr23 (build May 28 2025 13:56:54) complex	Single point	DFT	-	-48.37529526; eV
	13-Apr-2026	/Surfaces_H/Ag3/1H/fcc ag3_1h_fcc_opt	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complex	Single point	DFT	-	-48.39349924; eV
	13-Apr-2026	/Coadsorption/2NO2/alternate 2no2_alternate_opt	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complex	Single point	DFT	-	-82.83551965; eV
	13-Apr-2026	/Coadsorption/2NO3/bridge 2no3_bridge_freq	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complex	Single point	DFT	-	-94.12769850; eV
	13-Apr-2026	/Coadsorption/2NO3/tshape 2no3_tshape_opt	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complex	Single point	DFT	-	-92.63749172; eV
	13-Apr-2026	/Surfaces_H/Flat/075ML flat_075ML_opt	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-83.06781031; eV
	13-Apr-2026	/Molecules/H2 H2_opt	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-7.47255356; eV
	13-Apr-2026	/NOx_adsorbates/NO3/flat/050ML_H/bridge no3_flat_050ML_bridge_freq	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.3.2; 27Jun22 (build May 23 2025 15:53:09) complex	Single point	DFT	-	-94.46924361; eV

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