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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegCOFbpy-A-isomer-1aOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1569.44013880; eV
thumbnail.jpegCOFbpy-A-isomer-1bOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.44066314; eV
thumbnail.jpegCOFbpy-A-isomer-1cOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.31451014; eV
thumbnail.jpegCOFbpy-A-isomer-2aOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.23411628; eV
thumbnail.jpegCOFbpy-A-isomer-2bOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.46341812; eV
thumbnail.jpegCOFbpy-A-isomer-2cOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.32363385; eV
thumbnail.jpegCOFbpy-A-isomer-3aOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.35093123; eV
thumbnail.jpegCOFbpy-A-isomer-3bOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.37597123; eV
thumbnail.jpegCOFbpy-A-isomer-4aOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.15370809; eV
thumbnail.jpegCOFbpy-A-isomer-4bOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.13923347; eV
thumbnail.jpegCOFbpy-A-isomer-5aOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.57184667; eV
thumbnail.jpegCOFbpy-A-isomer-5b_(COFbpy-A)Ortuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.58520037; eV
thumbnail.jpegCOFbpy-A-isomer-6aOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.42173502; eV
thumbnail.jpegCOFbpy-A-isomer-6bOrtuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1570.15428894; eV
thumbnail.jpegCOFbpy-B-isomer-5b_(COFbpy-B)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexDFT--1571.15891678; eV
thumbnail.jpegCOFbpyMn1-B-Mn(CO)3Br_(COFbpyMn1)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3203.36558793; eV
thumbnail.jpegCOFbpyMn1-B-Mn(CO)2BrOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3186.59849333; eV
thumbnail.jpegCOFbpyMn1-B-Mn(CO)3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3200.16298177; eV
thumbnail.jpegCOFbpyMn1-B-Mn(CO)3(CH3CN)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyDFT--3237.75510573; eV
thumbnail.jpegCOFbpyMn6-B-Mn(CO)3Br_(COFbpyMn6)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3508.33743615; eV
thumbnail.jpegCOFbpyMn8-B-Mn(CO)3Br_(COFbpyMn8)Ortuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:58:27) gamma-onlyDFT--3630.31046553; eV
thumbnail.jpegCOFbpyMn2-B-Mn(CO)3Br_(COFbpyMn2-B)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3264.35112374; eV
thumbnail.jpegCOFbpyMn2-A-Mn(CO)3Br_(COFbpyMn2-A)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3262.59268144; eV
thumbnail.jpegCOFbpyMn2-A-Mn(CO)3_(COFbpyMn2-A1)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3258.24242493; eV
thumbnail.jpegCOFbpyMn2-A-Mn(CO)3_(COFbpyMn2-A2)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyDFT--3258.14200654; eV
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