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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/IRC B-TS-cyclooctyne-fo_tight_redo_ircHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-429.458498096; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/IRC A-TS-cyclooctyne-fo_tight_redo_ircHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-391.425434488; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/IRC C-TS-cyclooctyne-fo_tight_redo_ircHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-468.765915473; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/IRC H-TS-cyclooctyne_ircHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-505.490178355; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/SP D-TS-BCB-cyclooctyne-1.85-fo_tight_redo_stableSPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xdDEF2TZVPP-467.9254823; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/SP G-TS-cyclooctyne-fo-2.00_tight_redo_stableSPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xdDEF2TZVPP-546.5527855; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/SP J-TS-cyclooctyne-fo-2.0_tight_redo_stableSPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xdDEF2TZVPP-584.665433; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/SP I-TS-cyclooctyne-fo-2.1_tight_redo_stableSPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xdDEF2TZVPP-545.3337943; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/SP E-TS-housan-cyclooctyne-fo_tight_redo_stableSPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xdDEF2TZVPP-507.2536315; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/cyclooctyne-incomplete/SP F-TS-cyclooctyne-fo_tight_redo_2_stableSPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xdDEF2TZVPP-546.5795977; Eh
Results 401381-401390 of 402241 (Search time: 0.256 seconds).