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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
22-Aug-2022	/Gaussian RuBPY	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1579.79753405; Eh
22-Aug-2022	/Gaussian TS1ox	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1558.17259406; Eh
22-Aug-2022	/Gaussian TS1	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RM06L	DEF2SVP DEF2SVP/W06	-1558.33475226; Eh
22-Aug-2022	/Gaussian 1+	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP DEF2SVP/W06	-1864.01247662; Eh
22-Aug-2022	/Gaussian 1	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1864.18606143; Eh

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