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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-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	/Benzylium/DLPNO-CCSDT pOtBu_Benzylium_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-500.09023512; Eh
	5-May-2021	/Benzylium/DLPNO-CCSDT pOEt_Benzylium_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-421.99157276; Eh
	5-May-2021	/Benzylium/DFT pOtBu_Benzylium_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-503.19247584; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DLPNO-CCSDT Benzylium_OH_t_butylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-500.07897760; 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	/Alkenes/DFT tert-butylene	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-117.91574454; Eh
	5-May-2021	/Alkenes/DFT Ethylene	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-78.59291371; Eh
	5-May-2021	/Proton_Transfer_Transition_States/DLPNO-CCSDT pOiPr_Ei_TS_CCSDT	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-460.98876329; Eh

Results 11-20 of 77 (Search time: 0.001 seconds).