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Collection hits:

Collection Name
EurJOC_OpenSehll
Investigating Halogen-Bond-Mediated Through-Space Activation

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jun-2026	/MECP MECP_T	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD	DEF2SVP	-1337.04078798; Eh
	8-Jun-2026	/MECP MECP_S	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD	DEF2SVP	-1337.04072773; Eh
	8-Jun-2026	2FeCO2	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	M06L	DEF2SVP DEF2SVP/W06	-14052.5068870; Eh
	8-Jun-2026	1FeCO2	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	M06L	DEF2SVP DEF2SVP/W06	-13655.9137295; Eh
	8-Jun-2026	2Fe	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	M06L	DEF2SVP DEF2SVP/W06	-13864.0479206; Eh
	8-Jun-2026	1Fe	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	M06L	DEF2SVP DEF2SVP/W06	-13467.4544897; Eh
	8-Jun-2026	2	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	M06L	DEF2SVP DEF2SVP/W06	-12601.4345594; Eh
	8-Jun-2026	1	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	M06L	DEF2SVP DEF2SVP/W06	-12204.8428366; Eh

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