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

Search

previous
1
...
51
52
53
54
55
56
57
...
69
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/POPh3 NidppfPOPh3BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8912.1958048; Eh
	30-May-2021	/reaction_profiles/POPh3 NidppfPOPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-6028.0483622; Eh
	30-May-2021	/reaction_profiles/NMe3 NMe3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-174.3859669; Eh
	30-May-2021	/reaction_profiles/PC6H4OMe3 NiBrdppfPC6H4OMe3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-9029.9661712; Eh
	30-May-2021	/reaction_profiles/PC6H4OMe3 NiBrdppfPC6H4OMe3+rad_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-9029.9661708; Eh
	30-May-2021	/reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-9029.9450532; Eh
	30-May-2021	/reaction_profiles/AsPh3 NidppfAsPh3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10580.881219; Eh
	30-May-2021	/reaction_profiles/AsPh3 NiBrdppfAsPh3+rad_trip	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10580.9002996; Eh
	30-May-2021	/reaction_profiles/AsPh3 NidppfAsPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7696.7642773; Eh
	30-May-2021	/reaction_profiles/AsPh3 AsPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-2930.342451; Eh

Results 531-540 of 684 (Search time: 0.003 seconds).