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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_Br/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--190.97757206; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_Br/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.01230726; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_Br/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--195.26958814; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--207.52055157; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--204.52369469; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--200.73759191; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--203.77066766; eV
thumbnail.jpeg7-Feb-2020/Ru_Additional_TS Ru_R1_2BrGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--345.20408661; eV
thumbnail.jpeg7-Feb-2020/Ru_Additional_TS Ru_R1_1Br_FreqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--319.39564529; eV
thumbnail.jpeg7-Feb-2020/Ru_Additional_TS Ru_R1_1BrGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.67036266; eV
Results 791-800 of 800 (Search time: 0.002 seconds).