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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-DIAS I-TS-fo-SP-subHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-233.3342365; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-DIAS K-TS-fo-SP-methylHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-39.838497; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-DIAS J-TS-fo-SP-subHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-272.6884945; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-DIAS I-TS-fo-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-DIAS G-TS-fo-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-274.414793; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-DIAS J-TS-fo-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-DIAS K-TS-fo-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-DIAS L-TS-fo-SP-methylHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-39.8362713; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-DIAS L-TS-fo-SP-subHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-311.9715234; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-IRC C-TS-IRCHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureirc; uwb97xdDEF2SVP-196.864079933; Eh
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