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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2021	/GeomOpt_wB97XD M10	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2264985; Eh
	28-Feb-2021	/GeomOpt_wB97XD M11	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2254798; Eh
	28-Feb-2021	/GeomOpt_wB97XD M9	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2273905; Eh
	28-Feb-2021	/GeomOpt_wB97XD M8	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2234251; Eh
	28-Feb-2021	/GeomOpt_wB97XD M5	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	GEN	-3959.21819834; Eh
	28-Feb-2021	/GeomOpt_wB97XD M2	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1979.5865627; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M31_triplet	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UPBEPBE	GENECP	-3957.59845748; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M53	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2082.06766119; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M12	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2058.81371869; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M27	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.50224363; Eh

Results 431-440 of 462 (Search time: 0.001 seconds).