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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2019/TS DimerGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexImproved Dimer MethodDFT--200.48581567; eV
thumbnail.jpeg1-Oct-2019/TS FreqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--185.24795339; eV
thumbnail.jpeg1-Oct-2019/TS HostSlabGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--337.18301685; eV
thumbnail.jpeg1-Oct-2019/TS GuestSlabGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--181.07541383; eV
thumbnail.jpeg1-Oct-2019/TS/GenGeoms AlRotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.65573730; eV
thumbnail.jpeg1-Oct-2019/TS/GenGeoms 30RotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.65699018; eV
thumbnail.jpeg1-Oct-2019/TS/GenGeoms NoRotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.72287778; eV
thumbnail.jpeg1-Oct-2019/TS/LimRelax AlRotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.65573730; eV
thumbnail.jpeg1-Oct-2019/TS/LimRelax 30RotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.65733361; eV
thumbnail.jpeg1-Oct-2019/TS/LimRelax NoRotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.72287777; eV
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