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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	E024	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-620.501195442; Eh
	17-Nov-2021	E026	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-463.378161646; Eh
	17-Nov-2021	E025	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-384.801670399; Eh
	17-Nov-2021	E029	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-538.311934785; Eh
	17-Nov-2021	E028	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-577.593768982; Eh
	17-Nov-2021	E030	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-268.162217130; Eh
	17-Nov-2021	E032	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-613.701910904; Eh
	17-Nov-2021	E031	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-499.029360244; Eh
	17-Nov-2021	E033	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-577.594999196; Eh
	26-Mar-2024	4Fe	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization Minimum	RB97D	DEF2TZVP DEF2TZVP/W06	-14823.9320639; Eh

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