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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE0_Closed_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-918.05647635; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE0_open_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-918.08129061; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE_Closed_UV_solv	Dietrich, Fabian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-TZVPP	-918.05176168; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE0_Closed_solv	Dietrich, Fabian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-TZVPP	-918.09766615; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE_Open_UV_solv	Dietrich, Fabian	Orca; 5.0.4; RELEASE	Single point	DFT	def2-TZVPP	-918.06819167; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE0_closed_UV	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-918.08118956; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE_Closed_UV	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-918.03570930; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE_Open_UV	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-918.05455237; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Closed_4_UV	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-1294.98972768; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Open_1_UV	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-1295.01040433; Eh

Results 541-550 of 552 (Search time: 0.001 seconds).