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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M81	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1810.40488505; Eh
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M82	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1810.40017613; Eh
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M90	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1673.33386306; Eh
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M89	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1673.33738864; Eh
	17-Mar-2021	/GeomOpt_wB97XD M82	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1811.1435334; Eh
	17-Mar-2021	/GeomOpt_wB97XD M84	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-2059.3941219; Eh
	17-Mar-2021	/GeomOpt_wB97XD M85	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1811.1511517; 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 M4	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3957.56166748; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M9	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3957.59000011; Eh

Results 1-10 of 462 (Search time: 0.001 seconds).