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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/1ML_H/hcp no2_flat_1ML_hcpFloriano 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--114.66861819; eV
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/NOx_adsorbates/NO3/Ag3/chelate no3_ag3_chelate_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--70.62482468; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Ag1/*no*o no2_ag1_noo_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--63.21365146; eV
Login required13-Apr-2026/Surfaces_H/Ag1/1H/adatom ag1_1h_adatom_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--46.57644484; 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/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/Molecules/H2 H2_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--7.46551120; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/1ML_H/bridge_long no2_flat_1ML_bridge_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--114.67736418; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/flat/bare/bidentate/stable no3_flat_bare_bd_stableFloriano 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--68.93755704; eV
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