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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2022	/Gaussian TS3A	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP DEF2SVP/W06	-1559.51332558; Eh
	22-Aug-2022	/Orca RuBPY	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1580.93487996; Eh
	22-Aug-2022	/Orca 11	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1848.00098464; Eh
	22-Aug-2022	/Orca 10	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1848.48925462; Eh
	22-Aug-2022	/Orca 9	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1559.05957346; Eh
	22-Aug-2022	/Orca 8	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1403.99204066; Eh
	22-Aug-2022	/Orca TS3Aox	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1560.17302139; Eh
	22-Aug-2022	/Orca TS3A	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1560.34847105; Eh
	22-Aug-2022	/Orca TS3B	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1405.29406478; Eh
	17-Nov-2021	C04	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1864.18605547; Eh

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