ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
396
397
398
399
400
401
402
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/benchmarking/M11_L_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-312.052852; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp NiBrCHMePhdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7650.5539936; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-3258.1303342; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ NiCODdppf	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-5064.75703004; Eh
	30-May-2021	/benchmarking/M11_L_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-5079.6730511; Eh
	30-May-2021	/benchmarking/MN15_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-5078.0920538; Eh
	30-May-2021	/benchmarking/M11_L_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-8026.7759092; Eh
	30-May-2021	/benchmarking/MN15_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-311.7037077; Eh
	30-May-2021	/benchmarking/M06_D3_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5078.3198109; Eh
	30-May-2021	/benchmarking/M06_D3_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8024.6368557; Eh

Results 3981-3990 of 12842 (Search time: 0.005 seconds).