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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020VIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.28018714; Eh
thumbnail.jpeg30-Aug-2018VI1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d); sdd-1114.53076775; Eh
thumbnail.jpeg30-Aug-2018VI2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d); sdd-1190.97590447; Eh
thumbnail.jpeg30-Aug-2018VI3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d); sdd-1190.97000581; Eh
thumbnail.jpeg30-Aug-2018VI4Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d); sdd-1114.53756269; Eh
thumbnail.jpeg30-Aug-2018VI5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d); sdd-1114.53717283; Eh
thumbnail.jpeg22-Feb-2020VI_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1838732; Eh
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1865.62622190; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-10Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1852.53531647; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-11Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1852.64379268; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-12Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1851.93884441; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1865.21907001; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1865.04456768; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-4Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1865.02485313; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-5Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1864.57692369; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-6Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1864.03986052; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-7Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1864.82390106; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-8Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1851.94532391; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-9Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1852.25567298; eV
thumbnail.jpeg30-Aug-2018VIIBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUBP866-31g(d); sdd-1386.11820996; Eh