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

Search

previous
1
2
3
4
5
...
33
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/PC6H4OMe3 PC6H4OMe3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1379.4016986; Eh
	30-May-2021	/reaction_profiles/POPh3 POPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1261.6075054; Eh
	30-May-2021	/reaction_profiles/AsPh3 NiBrdppfAsPh3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10580.9002941; Eh
	30-May-2021	/reaction_profiles/NMe3 NiBrdppfNMe3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-7824.9305699; Eh
	30-May-2021	/reaction_profiles/NMe3 NiBrdppfNMe3+rad_trip	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-7824.9305422; Eh
	30-May-2021	/reaction_profiles/PCy3 PCy3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1046.7961407; 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 NiBrdppfAsPh3+rad_trip	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10580.9002996; Eh

Results 11-20 of 322 (Search time: 0.001 seconds).