ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
3
4
5
6
7
8
9
...
20
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	C74	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP DEF2SVP/W06	-1286.65017983; Eh
	17-Nov-2021	C76	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1922.86830390; Eh
	17-Nov-2021	C75	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1883.59704298; Eh
	17-Nov-2021	C04	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1864.18605547; Eh
	17-Nov-2021	C05	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1977.21667736; Eh
	17-Nov-2021	C06	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1864.20182888; Eh
	17-Nov-2021	C10	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-3082.96779917; Eh
	17-Nov-2021	C12	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-2678.57886672; Eh
	17-Nov-2021	C11	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-2486.99453848; Eh
	17-Nov-2021	C18	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-3350.68195207; Eh

Results 51-60 of 199 (Search time: 0.001 seconds).