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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/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/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 NiBrRdppfPMe3_tbp	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8111.5811798; Eh
	9-Aug-2020	DFT-UFF-polymer	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	ONIOM; B97D; UFF	6-31+G DUMMY MIXED*	-1707.71306802; 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/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-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1333.81954259; Eh
	1-Sep-2023	2a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.4785947; Eh

Results 3901-3910 of 12842 (Search time: 0.005 seconds).