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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_cis_IPA_2mer_2S_enol	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1730.19191394; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_1mer_1R_enol	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1535.72102875; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_trans_IPA_1mer_1S_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1535.79720256; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_1mer_1S_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1535.76144495; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_2mer_1S_1R_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1730.19611264; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_2mer_2S_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1730.20698026; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_2mer_1S_1R_enol	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1730.19530038; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_trans_IPA_0mer_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.38508329; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_1mer_1S_enol	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1535.76179975; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_trans_IPA_1mer_1R_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1535.78585924; Eh

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