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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2021	/Relaxed_PES_Scans/4-ethoxybenzylium 4-ethyoxybenzylium_-_Coarse_PES_Scan	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-424.55228638; Eh
	5-May-2021	/Relaxed_PES_Scans/4-tertbutoxybenzylium OtBu_Benzylium_Coarse_PES_Scan	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-503.19198901; Eh
	5-May-2021	/Relaxed_PES_Scans/4-isopropoxybenzylium OiPr_Fine_PES_Scan	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-463.78469827; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Isopropylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-463.85176183; Eh
	5-May-2021	/Benzylpyridinium/DFT pOEt_BP_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-672.91570112; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-424.52638097; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-424.52634638; Eh
	5-May-2023	/Bare_ligands dpip_opt	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-890.10114769; Eh
	5-May-2023	/Bare_ligands bpnp_opt	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-912.17513116; Eh
	5-May-2023	/DFT_Optimization dpip_Cu2_OH_TFA3_triplet_opt	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	HFTyp; UHF	def2-TZVPP	-5826.19291733; Eh

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