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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	30-May-2021	/reaction_profiles/POPh3 NiBrdppfPOPh3+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8912.1772997; Eh
	30-May-2021	/reaction_profiles/NMe3 NidppfNMe3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-7824.907519; Eh
	30-May-2021	/reaction_profiles/PCy3 NidppfPCy3BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8697.3632207; Eh
	30-May-2021	/reaction_profiles/PCy3 NidppfPCy3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5813.2210066; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1050.13790712; Eh
	30-May-2021	/reaction_profiles/POPh3 NidppfPOPh3_HATS_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8912.1461356; Eh
	30-May-2021	/reaction_profiles/NMe3 NidppfNMe3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-4940.7838421; Eh
	30-May-2021	/reaction_profiles/PC6H4Me3 NidppfPC6H4Me32	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7074.0641051; Eh
	30-May-2021	/reaction_profiles/POPh3 NidppfPOPh3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8912.1586173; Eh

Results 3911-3920 of 12842 (Search time: 0.004 seconds).