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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Apr-2026/Molecules/HNO2 HNO2_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--23.24277178; eV
Login required13-Apr-2026/Molecules/HNO2 HNO2_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--23.24666318; 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/NO3/flat/1ML_H/bridge no3_flat_1ML_bridge_freq-HFloriano 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--120.05100827; 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/NO3/flat/025ML_H/chelate no3_flat_025ML_chelateFloriano 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--81.36601054; 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/Surfaces_H/Flat/025ML flat_025ML_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--56.86359882; eV
Login required13-Apr-2026/Surfaces_H/Flat/075ML flat_075ML_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--83.06781031; 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
Results 392581-392590 of 397899 (Search time: 0.226 seconds).