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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_9	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.34923132; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_8	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35380663; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_82	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.22344597; 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_80	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.19233363; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_7	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.34721786; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_79	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.21160511; 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
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_76	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.17692721; Eh

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