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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/SbPh3 NidppfSbPh3_HATS_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8350.4759973; Eh
	30-May-2021	/reaction_profiles/SbPh3 NidppfSbPh3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8350.4913827; Eh
	30-May-2021	/reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe32	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7525.2598034; Eh
	30-May-2021	/reaction_profiles/SbPh3 NidppfSbPh3BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8350.5153044; Eh
	30-May-2021	/reaction_profiles/SbPh3 NidppfSbPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5466.3718786; Eh
	30-May-2021	/reaction_profiles/SbPh3 SbPh3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-699.9520144; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-5079.2464923; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1089.46723036; Eh
	30-May-2021	/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3_HATS_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8804.3486582; Eh
	30-May-2021	/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8804.3780828; Eh

Results 3951-3960 of 12842 (Search time: 0.005 seconds).