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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1463
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required11-Feb-2019suzuki_dimer_aFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1986.72043957; eV
Login required11-Feb-2019suzuki_dimer_bFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1987.49834548; eV
Login required11-Feb-2019suzuki_dimer_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1986.54194480; eV
Login required11-Feb-2019suzuki_trimer_aFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1991.48284005; eV
Login required11-Feb-2019suzuki_trimer_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1990.73465427; eV
Login required11-Feb-2019suzuki_trimer_bFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexN/ADFT--1991.77387466; eV
Login required11-Feb-2019hyd_mono_1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1914.03831201; eV
Login required11-Feb-2019hyd_mono_3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1913.88865492; eV
Login required11-Feb-2019hyd_mono_4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1994.69153441; eV
Login required11-Feb-2019hyd_mono_5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1995.36434339; eV
Login required11-Feb-2019hyd_mono_6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1994.94905230; eV
Login required11-Feb-2019hyd_mono_7Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1996.96293110; eV
Login required11-Feb-2019hyd_dimer_1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1918.37631416; eV
Login required11-Feb-2019hyd_dimer_2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1918.23834134; eV
Login required11-Feb-2019hyd_dimer_3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1918.34226595; eV
Login required11-Feb-2019hyd_dimer_4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1999.52733477; eV
Login required11-Feb-2019hyd_dimer_5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2000.71500133; eV
Login required11-Feb-2019hyd_dimer_6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2001.10103553; eV
Login required11-Feb-2019hyd_dimer_7Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2000.91559058; eV
Login required11-Feb-2019hyd_trimer_3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1922.69644716; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1463
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