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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso3_11	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.36828817; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_9	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.36927850; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_8	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.37316794; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_83	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.37779822; 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/TD-DFT Hum_Ag_trans_keto_73	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1341.38027604; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/TD-DFT Hum_Ag_trans_keto_53	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	-	def2-TZVPP	-1341.37336068; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/TD-DFT Hum_Ag_trans_keto_36	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	-	def2-TZVPP	-1341.37550431; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/TD-DFT Hum_Ag_trans_keto_16	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	-	def2-TZVPP	-1341.37861975; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/TD-DFT Hum_Ag_trans_keto_8	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1341.37720861; Eh

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