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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg_2constrained_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE; TD-FC--1568.90247784; Eh
thumbnail.jpeg_2constrained_Optimization_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.56491192; Eh
thumbnail.jpeg_1constrained_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE; TD-FC--1568.89840410; Eh
thumbnail.jpeg_1constrained_OptimizationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.56047682; Eh
thumbnail.jpeg_1_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE; TD-FC--1568.94098020; Eh
thumbnail.jpeg_1_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.60524371; Eh
thumbnail.jpeg_2_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.60879801; Eh
thumbnail.jpeg_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.60879801; Eh
thumbnail.jpeg_1_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.60524371; Eh
thumbnail.jpeg_1-2_transition_state_Optimization_and_Frequencies_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.60218870; Eh
thumbnail.jpeg_2_TD-DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.94461256; Eh
thumbnail.jpeg_1-2_transition_state_Optimization_and_Frequencies_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01---1568.60225803; Eh
thumbnail.jpeg_2_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE; TD-FC--1568.94461256; Eh
thumbnail.jpeg_2constrained_Optimization_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01---1568.56424951; Eh
thumbnail.jpeg_1_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1298.49164836; Eh
thumbnail.jpeg_2_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1298.49825930; Eh
thumbnail.jpeg_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1298.49825930; Eh
thumbnail.jpeg_1_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1298.49164834; Eh
thumbnail.jpeg_1_Optimization_and_Frequencies_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1298.49164834; Eh
thumbnail.jpeg_2_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE; TD-FC--1298.77397156; Eh
thumbnail.jpeg_1_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE; TD-FC--1298.76768272; Eh
thumbnail.jpeg_2_def2TZVP_singlepointSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.92284953; Eh
thumbnail.jpeg_1_def2TZVP_singlepointSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.91473752; Eh
thumbnail.jpeg_1_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.57414990; Eh
thumbnail.jpeg_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01RPBE1PBE--1568.58267882; Eh
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