ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
...
10
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jul-2022	/rh rh_7	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6295.2066739; Eh
	25-Jul-2022	/ru ru_2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6279.6722308; Eh
	25-Jul-2022	/fe_ch4/doublet feo-ch4-haa-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7489.0188526; Eh
	25-Jul-2022	/fe_ch4/doublet feoh-ch3-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7489.0311022; Eh
	25-Jul-2022	/ru ru_4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6279.6621366; Eh
	25-Jul-2022	/fe fe_6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7448.4720331; Eh
	25-Jul-2022	/ru ru_6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6279.6347168; Eh
	25-Jul-2022	/fe_ch4/doublet feoh-ch3-or-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7489.0257158; Eh
	25-Jul-2022	/ru ru_8	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6279.5833184; Eh
	25-Jul-2022	/fe fe_8	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7448.4600542; Eh

Results 21-30 of 97 (Search time: 0.001 seconds).