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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Aug-2018MDsnap_dimer2_260Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2219.83389192; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_1200Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2219.15135408; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_1020Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2217.90991121; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer3_3220Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2224.06643367; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_960Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2221.90845900; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_4040Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2220.39993559; eV
thumbnail.jpeg23-Apr-2020PdB_5x5_dosFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--544.56292018; eV
thumbnail.jpeg23-Apr-2020BN_aloneFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2135.59286989; eV
thumbnail.jpeg24-Apr-2020Pd111_Bsub-ac06Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--225.71771595; eV
thumbnail.jpeg24-Apr-2020Pd111_Bsub-ac05Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--225.77625813; eV
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