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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2024	Au40(MET)24_nanoclusters	L, Bruce	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE_Closed_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-918.01059120; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE_Open_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-918.04002168; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Closed_4_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1294.90320441; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Closed_1_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.06043126; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Open_1_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1294.95197539; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Closed_2_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.05176437; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Open_4_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1294.95154198; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Closed_2_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1294.86625529; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Closed_3_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1294.95094322; Eh

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