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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 PC6H4F3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1333.642568; Eh
	9-Aug-2020	surface+2-polymers	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Single point Minimum	ONIOM; B97D; --mm	6-31+G DUMMY MIXED*	-1363.40266292; Eh
	9-Aug-2020	Full_system	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Single point Minimum	ONIOM; B97D; --mm	6-31+G DUMMY MIXED*	-1363.40420283; Eh
	9-Aug-2020	10-polymer	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Single point Minimum	ONIOM; B97D; --mm	6-31+G DUMMY MIXED*	-1363.40734474; Eh
	9-Aug-2020	UFF-10-polymer	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RUFF	DUMMY ZDO	-
	9-Aug-2020	Surface	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	ONIOM; gaussian--mm; UFF	DUMMY MIXED	-
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_sqbp_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5767434; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_sqbp_t	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5537153; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_tbp_t	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5588429; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrRdppfPMe3_sqbp	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8111.5940213; Eh

Results 3891-3900 of 12842 (Search time: 0.005 seconds).