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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2016/ts_frequency 01_13_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---666.82533817; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test h_pdLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---333.03294966; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 22_23_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---671.12850546; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 14_14_iLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---656.04642602; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt ts_4b_hLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---640.07767092; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 21_31_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---674.00897003; eV
thumbnail.jpeg1-Dec-2016/ts 02_16_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---659.86011469; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test 26_c_pdLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---424.27352410; eV
thumbnail.jpeg1-Dec-2016/intermediateds 22_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---667.68652308; eV
thumbnail.jpeg1-Dec-2016/ts 26_33_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---652.46951180; eV
Results 31-40 of 1038 (Search time: 0.001 seconds).