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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2019	2_ads-b_t-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-365.40817010; eV
	10-Sep-2019	1_ads-t-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-291.75002067; eV
	17-Nov-2021	/Clonidine_Clusters/ACN_Clusters Clonidine_ACN_2b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1699.07570966; Eh
	17-Nov-2021	/Clonidine_Clusters/ACN_Clusters Clonidine_ACN_2a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1699.07577853; Eh
	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	/Clonidine_Clusters/ACN_Clusters Clonidine_ACN_1c	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1566.28604550; Eh
	17-Nov-2021	/Clonidine_Clusters/H2O_Clusters Clonidine_H2O_1b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1509.95811555; Eh
	17-Nov-2021	/Clonidine_Clusters/H2O_Clusters Clonidine_H2O_3a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1662.88441880; Eh

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