ioChem-BD Browse - Barcelona Supercomputing Center: Browsing Browse

Browsing by Author Occhipinti, Giovanni

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:

Showing results 21 to 40 of 276 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Oct-2021	/GeomOpt_PBEPBE M26	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4303169; Eh
15-Oct-2021	/GeomOpt_PBEPBE M27	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.8980353; Eh
15-Oct-2021	/GeomOpt_PBEPBE M28	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.401352; Eh
15-Oct-2021	/GeomOpt_PBEPBE M29	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2001.4268661; Eh
15-Oct-2021	/GeomOpt_PBEPBE M3	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-755.882724; Eh
15-Oct-2021	/GeomOpt_PBEPBE M30	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1809.9195576; Eh
15-Oct-2021	/GeomOpt_PBEPBE M31	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2056.74014431; Eh
15-Oct-2021	/GeomOpt_PBEPBE M32	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2079.91480439; Eh
15-Oct-2021	/GeomOpt_PBEPBE M33	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2079.91535337; Eh
15-Oct-2021	/GeomOpt_PBEPBE M34	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.913306; Eh
15-Oct-2021	/GeomOpt_PBEPBE M35	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.8597545; Eh
15-Oct-2021	/GeomOpt_PBEPBE M36	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-1888.41255739; Eh
15-Oct-2021	/GeomOpt_PBEPBE M37	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-1888.41307558; Eh
15-Oct-2021	/GeomOpt_PBEPBE M38	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4102791; Eh
15-Oct-2021	/GeomOpt_PBEPBE M39	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4080916; Eh
15-Oct-2021	/GeomOpt_PBEPBE M4	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2606.3407086; Eh
15-Oct-2021	/GeomOpt_PBEPBE M40	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2056.7273954; Eh
15-Oct-2021	/GeomOpt_PBEPBE M41	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9125544; Eh
15-Oct-2021	/GeomOpt_PBEPBE M42	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9348929; Eh
15-Oct-2021	/GeomOpt_PBEPBE M43	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.845033; Eh

Showing results 21 to 40 of 276 < previous next >