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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2016/Pd_Pt_test oh_bri_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---393.54037108; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test oh_top_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---392.82679878; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test 26_c_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---469.00642344; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test 01_26_c_pdLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---642.79511673; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test 01_c_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---473.00692578; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test bri_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---387.34051322; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test hcp_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---387.26122395; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test oh_fcc_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---393.29578988; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test oh_hcp_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---393.20887868; eV
thumbnail.jpeg1-Dec-2016/oxidation/Ru(0001)+HHDMA 6OLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---350.09802878; eV
Results 51-60 of 1038 (Search time: 0.001 seconds).