ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
7
...
63
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 M29	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UPBEPBE	GENECP	-3957.59889301; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M35	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UPBEPBE	GENECP	-3879.05241184; Eh
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M79	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2058.52462618; Eh
	17-Mar-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M90	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1673.33386306; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 pyridine	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GEN	-248.093066416; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M8	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3957.59412747; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M9	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-3957.59000011; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M23	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UPBEPBE	GENECP	-3957.62506866; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M24	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UPBEPBE	GENECP	-3957.52639378; Eh
	28-Feb-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M30	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UPBEPBE	GENECP	-3957.60687891; Eh

Results 31-40 of 630 (Search time: 0.001 seconds).