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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DLPNO-CCSDT Benzylium_OH_Ethylene_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-421.96963416; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DLPNO-CCSDT Benzylium_OH_Ethylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-421.96963227; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_t_butylene_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-503.17633408; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_t_butylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-503.17705085; Eh
	5-May-2021	/Carbocations/DFT Ethylium	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-78.86687884; Eh
	5-May-2021	/Alkenes/DLPNO-CCSDT Isopropylene	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-117.12003951; Eh
	5-May-2021	/Proton_Transfer_Transition_States/DFT 4-ethoxybenzylium_Intramolecular_Elimination_TS	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-424.47609786; Eh
	5-May-2021	/Benzylpyridinium/DFT pOiPr_BP_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-712.23860476; Eh
	5-May-2021	/Benzylium/DLPNO-CCSDT pOiPr_Benzylium_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-461.03790975; Eh
	5-May-2021	/Benzylium/DLPNO-CCSDT pOiPr_Benzylium_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-461.04452565; Eh

Results 61-70 of 77 (Search time: 0.001 seconds).