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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M15	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3957.59618739; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M19	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3957.60904296; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M33	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UPBEPBE	GENECP	-3957.61080677; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M37	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2210.84445189; Eh
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M78	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2001.98512090; Eh
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M86	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1810.39830136; Eh
	17-Mar-2021	/GeomOpt_wB97XD M76	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-2251.09081734; Eh
	17-Mar-2021	/GeomOpt_wB97XD M90	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1673.9787324; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M1	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2226.90698285; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M2	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1978.77534849; Eh

Results 41-50 of 462 (Search time: 0.001 seconds).