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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-May-2016TS_III_primeJover Modrego, Jesúsvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---410.11812521; eV
thumbnail.jpeg1-Dec-2016/ts 16_01_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---659.95285190; eV
thumbnail.jpeg12-Apr-2017lsls-K2-PW_PBEsol+U_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---453.01012636; eV
thumbnail.jpeg12-Apr-2017Na-PB_HSE03_optimisationHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---626.50149758; eV
thumbnail.jpeg6-Apr-2017Pt260NP-(_N(CH3)3CH2OH_H2PO4)57Almora, Neyvisvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlySingle point---9779.36029660; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 26_14_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---655.83383552; eV
thumbnail.jpeg1-Dec-2016/ts 11_14_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---662.95618459; eV
thumbnail.jpeg14-Sep-2016O-t_13L_001Capdevila, Marçalvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---1291.91867127; eV
thumbnail.jpeg12-Apr-2017Li-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---621.52765265; eV
thumbnail.jpeg12-Apr-2017Rb-PB_HSE03_dosHegner, Franziska Simonevasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---628.38412989; eV
Results 1-10 of 9922 (Search time: 0.002 seconds).