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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	gas_sp2_ts_pdpf3_s_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3572.00927356; Eh
	3-Oct-2019	gas_sp2_ts_pdpf3_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3572.00926928; Eh
	9-Nov-2018	/vacuum/metal_frag crh2o5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-468.620351614; Eh
	9-Nov-2018	/vacuum/metal_frag ircoph32b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-903.837591992; Eh
	9-Nov-2018	/vacuum/metal_frag wco5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-633.881076534; Eh
	9-Nov-2018	/vacuum/metal_frag oso3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-315.280225272; Eh
	9-Nov-2018	/vacuum/ligands chch2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-77.9302674723; Eh
	9-Nov-2018	/vacuum/metal_frag aucl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1516.36536525; Eh
	9-Nov-2018	/vacuum/ligands fenilomeb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-346.136719210; Eh
	9-Nov-2018	/vacuum/metal_frag cro3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-312.643686687; Eh

Results 6981-6990 of 12842 (Search time: 0.006 seconds).