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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_102_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24196475; Eh
	16-Jun-2023	/GSH GSH-H_tt_101_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.26276074; Eh
	16-Jun-2023	/GSH GSH-H_tt_098_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.26203115; Eh
	16-Jun-2023	/GSH GSH-H_tt_092_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22655800; Eh
	16-Jun-2023	/GSH GSH-H_tt_089_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.21941152; Eh
	16-Jun-2023	/GSH GSH-H_tt_085_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24118524; Eh
	16-Jun-2023	/GSH GSH-H_tt_081_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23949447; Eh
	16-Jun-2023	/GSH GSH-H_tt_080_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22064771; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-590.20179772; Eh
	16-Jun-2023	/GSH GSH-H_tt_113_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25878654; Eh

Results 211-220 of 3847 (Search time: 0.002 seconds).