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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Jun-2024	/Conformers_of_2_and_3/Orca 2_Open_3_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_Open_2_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1294.99214710; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Closed_4_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.04408103; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Open_4_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.06424285; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Open_1_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.29353986; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Closed_3_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.04980490; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Open_3_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.06368334; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Open_2_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1334.06352635; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Closed_1_UV	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-1334.28193173; Eh
	7-Jun-2024	/Conformers_of_2_and_3/Orca 3_Closed_2_UV	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-1334.27856548; Eh

Results 511-520 of 552 (Search time: 0.002 seconds).