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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt L-TS-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	uwb97xd	DEF2SVP	-584.021696082; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt K-TS-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	uwb97xd	DEF2SVP	-544.750584620; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/SP K-TS-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd	DEF2TZVPP	-545.322583; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC H-TS-propellane-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd; irc	DEF2SVP	-466.237540529; Eh
	23-Jun-2026	/Gaussian_output_files/Me_radical_test_set/TS-DIAS A-TS-ethane-D1-fo-SP-methyl	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	uwb97xd	DEF2TZVPP	-39.832129; Eh
	23-Jun-2026	/Gaussian_output_files/Me_radical_test_set/TS-DIAS A-TS-ethane-D1-fo-SP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	uwb97xd	DEF2TZVPP	-119.5948545; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC F-TS-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd; irc	DEF2SVP	-506.776945373; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC I-TS-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd; irc	DEF2SVP	-505.467393932; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC G-TS-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd; irc	DEF2SVP	-506.812454854; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/IRC J-TS-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd; irc	DEF2SVP	-544.785744884; Eh

Results 401741-401750 of 402241 (Search time: 0.217 seconds).