Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/1ML_H/bridge_long no2_flat_1ML_bridge1Floriano 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--114.67985955; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/flat/1ML_H/bridge no3_flat_1ML_bridge_optFloriano 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--120.03981651; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/bare/tridentate no2_flat_bare_tridentateFloriano 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--63.37775626; eV
Login required13-Apr-2026/Coadsorption/2NO3/on_ag3 af3_2no3_tshape_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--92.85188764; eV
Login required13-Apr-2026/NOx_adsorbates/NO3/Ag1/chelate no3_ag1_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 12:32:09) complexSingle pointDFT--69.24323258; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/bare/fcc no2_flat_bare_fccFloriano 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--63.37081967; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Ag1/inter no2_ag1_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--63.68096586; eV
Login required13-Apr-2026/Surfaces_H/Ag3/2H_fcc ag3_2h_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 13:56:54) complexSingle pointDFT--51.59154060; eV
Login required13-Apr-2026/Molecules/HNO3 HNO3_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--28.80452656; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/1ML_H/bridge_long2 no2_flat_1ML_bridge2Floriano 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--114.67891425; eV
Results 395071-395080 of 397032 (Search time: 0.27 seconds).