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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2017Cu-9-07García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---153.45943708; eV
thumbnail.jpeg8-May-2017Cu-9-08García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---150.25932538; eV
thumbnail.jpeg8-May-2017Cu-9-09García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---149.78312997; eV
thumbnail.jpeg8-May-2017Cu-9-10García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---146.84622433; eV
thumbnail.jpeg8-May-2017Cu-9-11García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---151.10770335; eV
thumbnail.jpeg8-May-2017Cu-9-12García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---146.99387917; eV
thumbnail.jpeg8-May-2017Cu-9-13García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---142.95857832; eV
thumbnail.jpeg8-May-2017Cu-9-14García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---137.98527919; eV
thumbnail.jpeg8-May-2017Cu-9-15García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---157.19705756; eV
thumbnail.jpeg8-May-2017Cu-9-16García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---153.74693722; eV
thumbnail.jpeg8-May-2017Cu-9-17García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---153.58107163; eV
thumbnail.jpeg8-May-2017Cu-9-18García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---149.63685408; eV
thumbnail.jpeg8-May-2017Cu-9-19García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---150.16916679; eV
thumbnail.jpeg8-May-2017Cu-9-20García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---145.56921952; eV
thumbnail.jpeg8-May-2017Cu-9-21García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---144.64590843; eV
thumbnail.jpeg8-May-2017Cu-9-22García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---140.60482713; eV
thumbnail.jpeg8-May-2017Cu-9-23García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---137.83040344; eV
thumbnail.jpeg8-May-2017Cu-9-24García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---141.75061622; eV
thumbnail.jpeg14-Oct-2020cu-bulk-17eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3.76290194; eV
thumbnail.jpeg5-May-2020Cu-Cu_Cu-O-vibrational-frequenciesDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1805.30344513; eV