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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2022	/Orca TS2	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1559.17491575; Eh
	22-Aug-2022	/Gaussian 6	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP DEF2SVP/W06	-1404.02223640; Eh
	22-Aug-2022	/Gaussian 5	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP DEF2SVP/W06	-1404.47336424; Eh
	22-Aug-2022	/Gaussian 4	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1404.63332450; Eh
	22-Aug-2022	/Gaussian 7	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1403.93308966; Eh
	22-Aug-2022	/Gaussian TS3Aox	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1559.35860485; Eh
	22-Aug-2022	/Gaussian TS3Box	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1404.41976060; Eh
	22-Aug-2022	/Orca RuBPYPF6	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-3462.86457298; Eh
	22-Aug-2022	/Orca TS1	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1559.17699088; Eh
	22-Aug-2022	/Gaussian TS2	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RM06L	DEF2SVP DEF2SVP/W06	-1558.33088118; Eh

Results 11-20 of 56 (Search time: 0.001 seconds).