ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
153
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2021	N1+_T_TZVP	Schön, Florian	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-
	16-Mar-2021	N1+_T_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2SVP	-
	16-Mar-2021	1tsI_cS_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RTPSSh	DEF2SVP	-
	24-Jun-2019	Mo-1c	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1795.74903391; Eh
	16-Mar-2021	3tsI_T_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2SVP	-
	16-Mar-2021	3tsII_T_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2SVP	-
	24-Jun-2019	Post_hydride_transfer	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1940.43681816; Eh
	16-Mar-2021	1intII_cS_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RTPSSh	DEF2SVP	-
	16-Mar-2021	N1+_cS_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RTPSSh	DEF2SVP	-
	16-Mar-2021	3intI_T_TZVP	Schön, Florian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2TZVP	-

Results 1-10 of 1523 (Search time: 0.002 seconds).