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

Search

previous
1
...
14
15
16
17
18
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/PC6H4F3 NidppfPC6H4F3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-6100.0670723; Eh
	30-May-2021	/reaction_profiles/PC6H4F3 PC6H4F3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1333.642568; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_tbp_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5671882; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_tbp_t	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5588429; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrRdppfPMe3_tbp	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8111.5811798; Eh
	30-May-2021	/reaction_profiles/PCy3 NidppfPCy3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8697.3298111; Eh
	30-May-2021	/reaction_profiles/PCy3 NiBrdppfPCy3+rad_recomb_sqbp_t	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8697.3246348; Eh
	30-May-2021	/reaction_profiles/PCy3 NiBrdppfPCy3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8697.3543391; Eh
	30-May-2021	/reaction_profiles/PCy3 NiBrdppfPCy3+rad_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8697.3543088; Eh
	30-May-2021	/reaction_profiles/PC6H4Me3 NiBrdppfPC6H4Me3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8804.3586433; Eh

Results 161-170 of 186 (Search time: 0.001 seconds).