ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
...
10
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jul-2022	/mn mn_7	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7335.7625316; Eh
	25-Jul-2022	/tc tc_3	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6265.6403662; Eh
	25-Jul-2022	/fe_ch4/quartet feo-ch4-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7489.0520982; Eh
	25-Jul-2022	/fe fe_2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7448.4941906; Eh
	25-Jul-2022	/tc tc_5	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6265.6384374; Eh
	25-Jul-2022	/rh rh_5	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6295.2382329; Eh
	25-Jul-2022	/fe_ch4/quartet feo-ch4-haa-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7489.0150292; Eh
	25-Jul-2022	/fe_ch4/doublet feo-ch4-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7489.0368995; Eh
	25-Jul-2022	/fe fe_4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7448.5094435; Eh
	25-Jul-2022	/tc tc_7	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6265.6173338; Eh

Results 11-20 of 97 (Search time: 0.001 seconds).