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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Sep-2019ads_rol2_din2-PtCl-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1991.75806691; eV
thumbnail.jpeg18-Sep-2019ads_rol3-PtCl-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2001.09753854; eV
thumbnail.jpeg18-Sep-2019ads_pristine-PtCl-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2037.69726788; eV
thumbnail.jpeg18-Sep-2019ads_din3-clean-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2013.92104328; eV
thumbnail.jpeg18-Sep-2019ads_epo2-clean-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2037.53841341; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_2240Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2222.64478644; eV
thumbnail.jpeg1-Dec-2017C2H4-Pd3S((202)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---271.59821954; eV
thumbnail.jpeg1-Dec-2017H2-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---246.87329105; eV
thumbnail.jpeg16-Jan-2026/FG_dataset/group2/pt/111 pt-4a01-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--356.91647955; eV
thumbnail.jpeg18-Sep-2019ads_h-rol1_din2-clean-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2017.14892516; eV
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