1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jul-2021i242104+i101101-i343107+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--184.83870930; eV
thumbnail.jpeg29-Jul-2021i242102+i111101-i353109+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--189.46790866; eV
thumbnail.jpeg29-Jul-2021i242103+i131102-i373103+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--196.27824846; eV
thumbnail.jpeg29-Jul-2021i242103+i121102-i363108+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--192.79564287; eV
thumbnail.jpeg29-Jul-2021V06O19_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-8.34866960; Eh
thumbnail.jpeg29-Jul-2021V06O18_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-8.00810536; Eh
thumbnail.jpeg29-Jul-2021V06O18_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-7.99008397; Eh
thumbnail.jpeg29-Jul-2021V05O15_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-6.67007844; Eh
thumbnail.jpeg29-Jul-2021V05O15_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-6.66300052; Eh
thumbnail.jpeg29-Jul-2021V01O5_6HPetrus, EnricADF; 2019Geometry optimizationPBETZP-2.32619358; Eh
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