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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP C-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-197.0048788; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP A-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-119.5948545; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP B-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-157.7013502; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP L-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevC.01Single point Structureuwb97xdDEF2TZVPP-351.8112821; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP E-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-235.1080132; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP I-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-273.1750165; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP J-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-312.5255302; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP K-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-312.4959053; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP F-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-274.4463017; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-SP G-TS-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-274.414793; Eh
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