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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_53	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36322033; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_4	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36980934; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_3	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35982812; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_36	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35966434; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_34	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36030436; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_32	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35544235; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_23	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35847351; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_16	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36261362; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_33	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35108327; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_12	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35531160; Eh

Results 61-70 of 128 (Search time: 0.002 seconds).