1. Institute of Chemical Research of Catalonia

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Showing results 12947 to 12966 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OOH-b-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2385.44825913; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OOH-tMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2385.61175070; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OOH-t-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2385.61166342; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-t-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2371.11166032; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-b-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2371.11164318; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-O-bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2375.28696085; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-O-b-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2375.28689192; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-O-tMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2375.17244503; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-O-t-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2375.17231023; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OHMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2381.27789501; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OH-b-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2381.27780254; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OH-t-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2381.27780289; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OOH-bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexGeometry optimizationDFT--2385.26110110; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OOH-b-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2385.26100085; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OOH-tMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexGeometry optimizationDFT--2385.41818694; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OOH-t-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2384.92904101; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-t-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexFrequenciesDFT--2371.11164422; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-D-b-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexFrequenciesDFT--2371.11166921; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-D-O-bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2375.26687219; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-D-O-b-freqMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexFrequenciesDFT--2375.26663295; eV
Showing results 12947 to 12966 of 63047 < previous   next >