ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
7
8
9
10
11
12
13
...
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 M61	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.55164928; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M59	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.55342748; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M74	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2350.67197759; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M75	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2350.67606436; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M85	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2001.96727367; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M71	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2542.25794131; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M79	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2542.25596731; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M77	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2542.25295384; 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 M21	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2079.9697384; Eh

Results 91-100 of 182 (Search time: 0.001 seconds).