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Showing results 18614 to 18633 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O clean_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--659.84337788; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O CO2_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--682.00291107; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O CO_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--675.11643769; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O CO_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--675.97062387; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2bothtoO_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--664.66441876; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2bothtoO_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--664.93091296; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2compldissoc_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--665.67364151; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2compldissoc_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--666.43695809; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2mol_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--666.08895722; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2mol_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--667.01168160; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2partdissoc_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--666.20359878; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/0H2O H2partdissoc_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--666.76405368; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/1H2O clean_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--674.55074679; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/1H2O clean_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--675.25602900; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/2H2O clean_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--689.75975178; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/2H2O clean_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--690.22840519; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/2H2O CO2_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--713.68077534; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/2H2O CO_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--704.98001853; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/2H2O CO_groundNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexGeometry optimizationDFT--705.74192631; eV
thumbnail.jpeg6-Feb-2023/Geometries_and_energies/CoHAP/0001/3H2O clean_excitedNikačević, Pavlevasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complexSingle pointDFT--704.60097054; eV