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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2023	/DFT_Optimization bpnp_Cu2_OH_TFA3_triplet_opt	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	HFTyp; UHF	def2-TZVPP	-5848.21409597; Eh
	5-May-2023	/DFT_Optimization bpnp_Cu2_OH_TFA3_singlet_opt	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	HFTyp; UHF	def2-TZVPP	-5848.21386581; Eh
	5-May-2023	/DFT_Optimization dpip_Cu2_OH_TFA3_singlet_opt	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	HFTyp; UHF	def2-TZVPP	-5826.11095504; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_83	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-1341.37883576; Eh
	9-Jan-2023	/Kinetics_Simulations/Microsolvated_Humulone/DFT Humulone_Ag_cis_IPA_1mer_1R_keto	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-1535.76271673; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_15	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1341.36207334; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_23	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1341.36173127; Eh
	15-Mar-2023	CBN_Ag_17	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-1113.27136636; Eh
	15-Mar-2023	CBD_Ag_Iso1_38	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-1115.67073651; Eh
	15-Mar-2023	CBN_Ag_23	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-1113.27073702; Eh

Results 11-20 of 67 (Search time: 0.001 seconds).