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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Apr-2026/NOx_adsorbates/NO3/Ag3/step no3_ag3_step_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--70.66871807; 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/NOx_adsorbates/NO3/Ag3/center no3_ag3_center_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--70.64602927; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/Ag3/step no3_ag3_step_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--70.67051916; eV
Login required13-Apr-2026/Surfaces_H/Ag1/2H/1fcc_1adatom ag1_2h_1ffc1ada_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--50.18629308; 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/Ag1/1H/adatom ag1_1h_adatom_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--46.87737037; eV
Login required13-Apr-2026/Surfaces_H/Ag1/2H/2fcc ag1_2h_2fcc_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--50.60464931; eV
Login required13-Apr-2026/Surfaces_H/Ag1/1H/hcp ag1_1h_hcp_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--47.26951585; eV
Login required13-Apr-2026/Molecules/HNO3 HNO3_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--28.79993917; eV
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