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Browsing by Author Skjelstad, Bastian Bjerkem

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Showing results 21 to 40 of 130 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
25-Jul-2022	/fe_c6h12/doublet feoh-c6h11-or-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4814764; Eh
25-Jul-2022	/fe_c6h12/quartet fe-c6h11oh-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.5502637; Eh
25-Jul-2022	/fe_c6h12/quartet fe-cpcm_c6h12-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7373.2864151; Eh
25-Jul-2022	/fe_c6h12/quartet feo-c6h12-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4983007; Eh
25-Jul-2022	/fe_c6h12/quartet feo-c6h12-haa-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4662143; Eh
25-Jul-2022	/fe_c6h12/quartet feo-cpcm_c6h12-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7448.4973322; Eh
25-Jul-2022	/fe_c6h12/quartet feoh-c6h11-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4907773; Eh
25-Jul-2022	/fe_c6h12/quartet feoh-c6h11-or-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4789763; Eh
25-Jul-2022	/fe_c6h12/sextet fe-c6h11oh-6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.513414; Eh
25-Jul-2022	/fe_c6h12/sextet fe-cpcm_c6h12-6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7373.2883157; Eh
25-Jul-2022	/fe_c6h12/sextet feo-c6h12-6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4610198; Eh
25-Jul-2022	/fe_c6h12/sextet feo-c6h12-haa-6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4339939; Eh
25-Jul-2022	/fe_c6h12/sextet feo-cpcm_c6h12-6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7448.4712518; Eh
25-Jul-2022	/fe_c6h12/sextet feoh-c6h11-6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4600163; Eh
25-Jul-2022	/fe_c6h12/sextet feoh-c6h11-or-6	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7684.4471994; Eh
25-Jul-2022	/fe_ch4 ch3oh	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-115.7775885; Eh
25-Jul-2022	/fe_ch4 ch4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-40.537112; Eh
25-Jul-2022	/fe_ch4/doublet fe-ch3oh-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7489.1010631; Eh
25-Jul-2022	/fe_ch4/doublet fe-cpcm_chcl3-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7373.2918086; 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

Showing results 21 to 40 of 130 < previous next >