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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Feb-2026	L1- opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-1248.68320089038843; Eh
	23-Feb-2026	L3- opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-943.98841351516774; Eh
	13-Apr-2026	/NOx_adsorbates/NO3/Ag1/tridentate no3_ag1_tridentate_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	-	-69.23907041; eV
	13-Apr-2026	/NOx_adsorbates/NO3/Ag1/chelate no3_ag1_chelate_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	-	-69.23012915; eV
	13-Apr-2026	/NOx_adsorbates/NO3/Ag1/chelate no3_ag1_chelate_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	-	-69.24323258; eV
	13-Apr-2026	/NOx_adsorbates/NO3/Ag1/step no3_ag1_step_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	-	-69.36101057; eV
	13-Apr-2026	/NOx_adsorbates/NO3/Ag1/step no3_ag1_step_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	-	-69.36481155; eV
	13-Apr-2026	/Surfaces/Ag3/Bare ag3_bare_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	-	-45.06822590; eV
	13-Apr-2026	/NOx_adsorbates/NO2/Flat/1ML_H/bridge_long no2_flat_1ML_bridge_freq	Floriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Max	vasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complex	Single point	DFT	-	-114.67736418; eV
	13-Apr-2026	/NOx_adsorbates/NO2/Flat/050ML_H/bridge no2_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	-	-88.99685976; eV

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