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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	/Clonidine_Clusters/ACN_Clusters Clonidine_ACN_2c	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1699.07320021; Eh
	17-Nov-2021	/Clonidine_Clusters/ACN_Clusters Clonidine_ACN_3a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1831.85322785; Eh
	17-Nov-2021	/Clonidine_Clusters/ACN_Clusters Clonidine_ACN_2e	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1699.06362974; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_3a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-666.66632950; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2e	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-590.20009774; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2f	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-590.19678575; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2d	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-590.20024503; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2g	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-590.19462518; Eh
	16-Jun-2023	/GSH GSH-H_tt_116_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24481593; Eh
	16-Jun-2023	/GSH GSH-H_tt_115_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25430174; Eh

Results 191-200 of 3847 (Search time: 0.002 seconds).