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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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
	7-Mar-2024	TSC2b-8	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1560.14674102; Eh
	5-May-2020	XPS-SY-red-Cu-2p-236	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1723.53357809; eV
	5-May-2020	XPS-SY-red-Cu-2p-292	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1723.79129643; eV
	5-May-2020	XPS-SY-red-Cu-2p-198	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1723.86074183; eV

Results 20101-20110 of 103542 (Search time: 0.013 seconds).