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Showing results 4148 to 4167 of 18373 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Nov-2018_H-static_doplnek_1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--170.84514402; eV
thumbnail.jpeg5-Nov-2018_H-static_doplnek_2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--170.92184757; eV
thumbnail.jpeg5-Nov-2018_H-static_doplnek_5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--171.21139296; eV
Login required11-Feb-2019h-terc-olFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--88.37941829; eV
thumbnail.jpeg5-Nov-2018_H1_bFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--167.53614257; eV
thumbnail.jpeg5-Nov-2018_H1_hFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--164.46215850; eV
thumbnail.jpeg5-Nov-2018_H1_tFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--168.59202894; eV
thumbnail.jpeg20-Feb-2018H2Ortuño, Manuelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---6.76670032; eV
thumbnail.jpeg1-Dec-2017H2-Pd(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---150.14850874; eV
thumbnail.jpeg1-Dec-2017H2-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---246.87329105; eV
thumbnail.jpeg16-May-2018H2_a6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--1990.71118979; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_2xOHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1104.20202704; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_adIn_2xOHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1106.73826407; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_adIn_InH-OHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1105.44752190; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1101.59571593; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_InH-OHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1101.84560757; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_Ovac_2xOHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1096.18440432; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_Ovac_H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1094.78137870; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_Ovac_InH-OHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1095.66768709; eV
thumbnail.jpeg16-May-2018H2_b1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationPBE--2003.33269776; eV