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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/DFT Benzylium_OH_Ethylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-424.52634638; Eh
	5-May-2021	/Carbocations/DLPNO-CCSDT Ethylium	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-78.34609720; Eh
	5-May-2021	/Proton_Transfer_Transition_States/DFT 4-isopropoxybenzylium_Ei_TS	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization TS	-	def2-TZVPP	-463.81761230; Eh
	5-May-2021	/Benzylpyridinium/DLPNO-CCSDT pOiPr_BP_3	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-707.86673702; Eh
	5-May-2021	/Benzylpyridinium/DLPNO-CCSDT pOiPr_BP_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-707.87418393; Eh
	5-May-2021	/Benzylpyridinium/DLPNO-CCSDT pOiPr_BP_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-707.87410317; Eh
	5-May-2021	/Benzylium/DFT pOtBu_Benzylium_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-503.19246378; Eh
	5-May-2021	/Benzylium/DFT pOiPr_Benzylium_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-463.87000923; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DLPNO-CCSDT Benzylium_OH_Isoproylene_5	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-461.02320464; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DLPNO-CCSDT Benzylium_OH_Isopropylene_3	Ieritano, Christian	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-461.02386047; Eh

Results 51-60 of 77 (Search time: 0.001 seconds).