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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Apr-2026/Surfaces/Ag1/Bare ag1_bare_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--43.97079511; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/flat/025ML_H/chelate no3_flat_025ML_chelate_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--81.36565055; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/025ML_H/bridge no2_flat_025ML_bridge_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--75.83589728; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/075ML_H/bridge no2_flat_075ML_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--101.96101130; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/Ag1/chelate no3_ag1_chelate_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--69.23012915; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/bare/*no*o no2_flat_bare_nooFloriano 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--63.14882736; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/Ag1/step no3_ag1_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--69.36101057; 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
Login required13-Apr-2026/Surfaces_H/Flat/050ML flat_050ML_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--70.02927289; 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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