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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 7	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1404.63982365; Eh
	22-Aug-2022	/Orca TS0ox	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1558.98879671; 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 TS0	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1559.17077584; Eh
	22-Aug-2022	/Gaussian 3	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1558.37361427; Eh
	22-Aug-2022	/Gaussian 2	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1403.43698047; Eh
	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	/Gaussian TS3B	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP DEF2SVP/W06	-1404.58422086; Eh
	22-Aug-2022	/Gaussian RuBPYPF6	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-3460.06121487; Eh
	22-Aug-2022	/Gaussian RuBPY+	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP DEF2SVP/W06	-3459.86822428; Eh

Results 171-180 of 636 (Search time: 0.002 seconds).