ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
23
24
25
26
27
28
29
...
33
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M52	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.47786217; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M48	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.47141253; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M45	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.47677793; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M38	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1962.71750809; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M47	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.47606417; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M44	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.46047346; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M39	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1962.71472031; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M51	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.48129099; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M49	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.48420252; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M50	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3925.47998315; Eh

Results 251-260 of 330 (Search time: 0.001 seconds).