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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_trans_IPA_2mer_2S_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1730.20548263; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_trans_IPA_0mer_enol	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.37273660; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_0mer_enol	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35982653; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_2	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.34375515; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_1	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.37861976; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_18	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35520605; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_13	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36222124; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_81	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.26855221; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_78	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35072897; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_77	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.25800698; Eh

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