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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/050ML_H/bridge no2_flat_050ML_bridgeFloriano 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--89.00139485; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/Ag3/tridentate no3_ag3_tridentate-flat_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--70.63224606; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/flat/bare/fcc no3_flat_bare_fcc_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complexSingle pointDFT--68.75673277; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Ag3/inter no2_ag3_inter_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--65.07906981; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/Ag3/bridge no3_ag3_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--70.63508775; eV
Login required13-Apr-2026/Surfaces_H/Ag3/3H_fcc ag3_3h_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--54.88429419; eV
Login required13-Apr-2026/Coadsorption/2NO2/top 2no2_top_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--82.03077177; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/flat/bare/bidentate/stable no3_flat_bare_bd_stable_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.3.2; 27Jun22 (build May 13 2025 14:24:08) complexSingle pointDFT--68.92599793; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/flat/050ML_H/bridge no3_flat_050ML_bridgeFloriano 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--94.48162350; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/bare/*no*o no2_flat_bare_top_freqFloriano Costa, Gabriel; Barroso-Martinez, Jaxiry; Fenoll Silvestre, Didac Armand; Escudero-Escribano, María; Garcia Melchor, Maxvasp; 6.4.2; 20Jul23 (build Jul 31 2024 16:08:57) complexSingle pointDFT--63.13930738; eV
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