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

Search

previous
1
...
7
8
9
10
11
12
13
...
33
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/benchmarking/CAM_B3LYP_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RCAM-B3LYP	6-311+G(D,P) GENECP	-3258.5522381; Eh
	30-May-2021	/benchmarking/CAM_B3LYP_D3_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RCAM-B3LYP	6-311+G(D,P) GENECP	-311.9417672; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp Nidppf2_open_BrCH2CH2Ph	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-10908.7069537; Eh
	30-May-2021	/benchmarking/B3LYP_D3BJ_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5080.065996; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp Nidppf2_open	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8024.5565888; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5078.2884665; Eh
	30-May-2021	/benchmarking/B3LYP_6_311+G2d2p dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P) GENECP	-3259.3596515; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8024.5726442; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp PhCH2CH2Br	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-2884.1310384; Eh
	30-May-2021	/benchmarking/B3LYP_D3BJ_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-312.1604942; Eh

Results 91-100 of 322 (Search time: 0.003 seconds).