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Browsing by Author Occhipinti, Giovanni

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Showing results 41 to 60 of 276 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Oct-2021	/GeomOpt_PBEPBE M44	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9189107; Eh
15-Oct-2021	/GeomOpt_PBEPBE M45	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4205365; Eh
15-Oct-2021	/GeomOpt_PBEPBE M46	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4118253; Eh
15-Oct-2021	/GeomOpt_PBEPBE M47	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4230438; Eh
15-Oct-2021	/GeomOpt_PBEPBE M48	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4140702; Eh
15-Oct-2021	/GeomOpt_PBEPBE M49	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2056.7756782; Eh
15-Oct-2021	/GeomOpt_PBEPBE M5	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2628.7250562; Eh
15-Oct-2021	/GeomOpt_PBEPBE M50	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9419762; Eh
15-Oct-2021	/GeomOpt_PBEPBE M51	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9446021; Eh
15-Oct-2021	/GeomOpt_PBEPBE M52	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9364322; Eh
15-Oct-2021	/GeomOpt_PBEPBE M53	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9369593; Eh
15-Oct-2021	/GeomOpt_PBEPBE M54	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4171481; Eh
15-Oct-2021	/GeomOpt_PBEPBE M55	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4214937; Eh
15-Oct-2021	/GeomOpt_PBEPBE M56	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4433378; Eh
15-Oct-2021	/GeomOpt_PBEPBE M57	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4038129; Eh
15-Oct-2021	/GeomOpt_PBEPBE M58	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2056.7996117; Eh
15-Oct-2021	/GeomOpt_PBEPBE M59	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9825954; Eh
15-Oct-2021	/GeomOpt_PBEPBE M6	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2437.4887132; Eh
15-Oct-2021	/GeomOpt_PBEPBE M60	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9866097; Eh
15-Oct-2021	/GeomOpt_PBEPBE M61	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9564829; Eh

Showing results 41 to 60 of 276 < previous next >