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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2023	/GSH GSH-H_tt_305_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22230812; Eh
	16-Jun-2023	/GSH GSH-H_tt_314_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25149658; Eh
	16-Jun-2023	/GSH GSH-H_tt_315_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23716600; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_1_ACN_1_d_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-687.22823441; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_0_ACN_1_b_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-610.74711836; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_2_ACN_0_c_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-630.85275614; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_2_ACN_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-630.84819379; Eh
	16-Jun-2023	/GSH GSH-H_tt_335_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25073082; Eh
	16-Jun-2023	/GSH GSH-H_tt_351_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23572821; Eh
	16-Jun-2023	/GSH GSH-H_tt_344_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25807944; Eh

Results 3871-3880 of 3920 (Search time: 0.004 seconds).