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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Oct-2023	/SP_PBEPBE_GD3MBJ_C6H6 Ru13_9	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2523.83804010; Eh
	6-Oct-2023	/SP_PBEPBE_GD3MBJ_C6H6 Ru13_11	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2209.64272913; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M87	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-1890.23845881; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M33	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.47877662; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M32	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.47819772; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M36	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-1888.89842725; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_20_H2O_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-1856.9667895; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_20_PMe3_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-1906.819186; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ ethylene	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-78.4719462; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru20_11	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2135.4308435; Eh

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