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Browsing by Author Jensen, Vidar R.

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Showing results 81 to 100 of 276 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Oct-2021	/GeomOpt_PBEPBE M80	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2541.4118514; Eh
15-Oct-2021	/GeomOpt_PBEPBE M81	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2349.9747437; Eh
15-Oct-2021	/GeomOpt_PBEPBE M82	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2349.928354; Eh
15-Oct-2021	/GeomOpt_PBEPBE M83	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2349.988647; Eh
15-Oct-2021	/GeomOpt_PBEPBE M84	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2349.9256184; Eh
15-Oct-2021	/GeomOpt_PBEPBE M85	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2001.4422223; Eh
15-Oct-2021	/GeomOpt_PBEPBE M86	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1809.9275482; Eh
15-Oct-2021	/GeomOpt_PBEPBE M87	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.3899145; Eh
15-Oct-2021	/GeomOpt_PBEPBE M88	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UHF; UPBEPBE	GENECP GEN	-1132.4599435; Eh
15-Oct-2021	/GeomOpt_PBEPBE M9	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1978.2438665; Eh
15-Oct-2021	/GeomOpt_PBEPBE styrene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-309.2508804; Eh
15-Oct-2021	/GeomOpt_PBEPBE trans-stilbene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-540.0389884; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 2-Isopropoxy-5-nitrostyrene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-707.535013267; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 ethylene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-78.6072974971; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 M1	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-925.637231998; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 M10	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2003.43917168; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 M11	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-1811.65802668; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 M12	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2058.81371869; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 M13	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2082.06357723; Eh
15-Oct-2021	/SP_M06L_GD3_CHCl3 M14	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-1890.27996398; Eh

Showing results 81 to 100 of 276 < previous next >