ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
15
16
17
18
19
20
21
...
51
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jun-2018	04	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2007.56784791; Eh
	4-Jun-2018	TS20-21DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2255.92695277; Eh
	4-Jun-2018	TS15-16DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1855.19511803; Eh
	4-Jun-2018	TS14-02DMF	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1855.18795362; Eh
	4-Jun-2018	TS08-09F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2007.56019224; Eh
	4-Jun-2018	07DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1855.25148173; Eh
	4-Jun-2018	08DMF	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1855.22701617; Eh
	4-Jun-2018	20DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2255.94878953; Eh
	4-Jun-2018	TS08-09DMF	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1855.22330605; Eh
	4-Jun-2018	TS15-16F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2007.54779297; Eh

Results 171-180 of 501 (Search time: 0.001 seconds).