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

Search

previous
1
...
4
5
6
7
8
9
10
...
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_D3BJ_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RCAM-B3LYP	6-311+G(D,P) GENECP	-8025.7848002; Eh
	30-May-2021	/benchmarking/CAM_B3LYP_D3_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RCAM-B3LYP	6-311+G(D,P) GENECP	-8025.6993856; Eh
	30-May-2021	/benchmarking/CAM_B3LYP_D3BJ_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RCAM-B3LYP	6-311+G(D,P) GENECP	-3258.655317; Eh
	30-May-2021	/benchmarking/CAM_B3LYP_D3_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RCAM-B3LYP	6-311+G(D,P) GENECP	-3258.61794; Eh
	30-May-2021	/benchmarking/CAM_B3LYP_D3BJ_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RCAM-B3LYP	6-311+G(D,P) GENECP	-311.9466062; Eh
	30-May-2021	/benchmarking/B3LYP_6_311+G2d2p COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P)	-312.1393201; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-311.8618736; 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 Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-8027.4468956; Eh
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2Br G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-7652.2756606; Eh

Results 61-70 of 322 (Search time: 0.002 seconds).