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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 C-TS-cyclobutane-fo-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-DIAS D-TS-BCB-D1-fo-SPHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-195.7820516; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-DIAS D-TS-BCB-D1-fo-SP-subHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Single point Structureuwb97xdDEF2TZVPP-155.9473881; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-Opt B-TS-foHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-157.525700474; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-Opt F-TSHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-274.151813675; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-Opt G-TSHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-274.120902302; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-Opt C-TSHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-196.788436493; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-Opt E-TSHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-234.854123890; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-Opt H-TSHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-233.597842269; Eh
thumbnail.jpeg23-Jun-2026/Gaussian_output_files/Me_radical_test_set/TS-Opt D-TSHouk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil KGaussian; 16; ES64L-G16RevA.03Geometry optimization TSuwb97xdDEF2SVP-195.569515995; Eh
Results 401761-401770 of 402241 (Search time: 0.203 seconds).