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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2021	/GeomOpt_wB97XD M6	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.211717; Eh
	28-Feb-2021	/GeomOpt_wB97XD ethylene	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GEN	-78.5608785; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M69	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.46936480; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M45	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.47677793; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M38	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1962.71750809; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M39	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1962.71472031; Eh
	28-Feb-2021	/GeomOpt_wB97XD M59	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3927.0937069; Eh
	28-Feb-2021	/GeomOpt_wB97XD M55	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3927.12133064; Eh
	28-Feb-2021	/GeomOpt_wB97XD M57	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3927.11825091; Eh
	28-Feb-2021	/GeomOpt_wB97XD M56	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3927.12498647; Eh

Results 401-410 of 462 (Search time: 0.002 seconds).