ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

Search:

for

Current filters:

Start a new search

Add filters:

Results/Page |

Sort items by

In order

Authors/record

previous
1
2
3
4
5
6
...
19
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M2	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-947.817443449; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 styrene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-309.384009805; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M7	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2630.32967777; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M8	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2438.73718254; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M15	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2057.30173086; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M9	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-1978.77265797; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M10	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2001.98135574; 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	/SP_PBEPBE_GD3MBJ_CHCl3 2-Isopropoxy-5-nitrostyrene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-706.832155113; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M12	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2057.30562035; Eh

Results 21-30 of 189 (Search time: 0.001 seconds).