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/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/NO3/flat/1ML_H/bridge no3_flat_1ML_bridge_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--120.03981667; eV
Login required13-Apr-2026/NOx_adsorbates/NO2/Flat/025ML_H/bridge no2_flat_025ML_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--75.83100054; eV
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/flat/1ML_H/evolve_hno3 evolvesFloriano 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--121.76962569; 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/Molecules/H2 H2_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--7.47255356; eV
Login required13-Apr-2026/Surfaces_H/Ag3/2H_fcc ag3_2h_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--51.59114781; eV
Login required13-Apr-2026/Surfaces_H/Ag3/4H_fcc ag3_4h_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--58.16237050; eV
Login required13-Apr-2026/Surfaces_H/Ag3/3H_fcc ag3_3h_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--54.88384590; eV
Results 393071-393080 of 397899 (Search time: 0.262 seconds).