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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Apr-2026/Surfaces_H/Ag3/1H/hcp_d ag3_1h_hcp-d_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complexSingle pointDFT--48.37477776; eV
Login required13-Apr-2026/Surfaces_H/Ag3/1H/hcp_d ag3_1h_hcp-d_optFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.1; 05Apr23 (build May 28 2025 13:56:54) complexSingle pointDFT--48.37529526; eV
Login required13-Apr-2026/Surfaces_H/Ag1/1H/fcc2 ag1_1h_fcc_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complexSingle pointDFT--47.28672670; eV
Login required13-Apr-2026/Surfaces_H/Ag3/1H/fcc ag3_1h_fcc_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complexSingle pointDFT--48.39308028; eV
Login required13-Apr-2026/Surfaces_H/Ag1/1H/inter ag1_1h_inter_optFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complexSingle pointDFT--47.02267755; eV
Login required13-Apr-2026/Surfaces_H/Ag3/1H/fcc ag3_1h_fcc_optFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complexSingle pointDFT--48.39349924; eV
Login required13-Apr-2026/Surfaces_H/Ag1/1H/fcc2 ag1_1h_fcc_optFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complexSingle pointDFT--47.28704212; eV
Login required13-Apr-2026/Coadsorption/2NO3/bridge 2no3_bridge_optFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.1; 05Apr23 (build May 28 2025 12:32:09) complexSingle pointDFT--94.14058277; eV
Login required13-Apr-2026/Surfaces_H/Flat/075ML flat_075ML_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.3.2; 27Jun22 (build May 23 2025 15:53:09) complexSingle pointDFT--83.06755958; eV
Login required13-Apr-2026/Surfaces_H/Flat/050ML flat_050ML_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.3.2; 27Jun22 (build May 23 2025 15:53:09) complexSingle pointDFT--70.02888216; eV
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