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

Search

previous
1
...
3
4
5
6
7
8
9
...
19
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/reaction_profiles/FcPPh2 NidppfFcPPh2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7220.7515685; Eh
	30-May-2021	/reaction_profiles/PPh3 NiBrdppfPPh3+rad_recomb_sqbp_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8686.4589972; Eh
	30-May-2021	/reaction_profiles/PC6H4CF33 NidppfPC6H4CF332	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8860.5038503; Eh
	30-May-2021	/reaction_profiles/PPh3 NidppfPPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5802.3427132; Eh
	30-May-2021	/reaction_profiles/PMe3 PMe3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-461.0186095; Eh
	30-May-2021	/reaction_profiles/PC6H4CF33 NiBrdppfPC6H4CF33+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-9697.5743441; Eh
	30-May-2021	/reaction_profiles/PPh3 NiBrdppfPPh3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8686.4734707; Eh
	30-May-2021	/reaction_profiles/PPh3 NiBrRdppfPPh3_sqbp	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8686.4892235; Eh
	30-May-2021	/reaction_profiles/PC6H4CF33 PC6H4CF33	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-2047.0209291; Eh
	30-May-2021	/reaction_profiles/PPh3 PPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1035.9196751; Eh

Results 51-60 of 186 (Search time: 0.002 seconds).