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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt D-TS-BCB-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Geometry optimization TSuwb97xdDEF2SVP-428.153615508; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt I-TS-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Geometry optimization TSuwb97xdDEF2SVP-505.467385777; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt J-TS-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Geometry optimization TSuwb97xdDEF2SVP-544.778475076; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt G-TS-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Geometry optimization TSuwb97xdDEF2SVP-506.695725430; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt F-TS-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-506.729244327; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC B-TS-cyclopropane-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-390.094438662; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC C-TS-cyclobutane-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-429.459915422; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC E-TS-housan-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-467.536939495; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC A-TS-ethane-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-352.104183391; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC D-TS-BCB-ABOHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.02Single point Structureuwb97xd; ircDEF2SVP-428.168939775; Eh
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