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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-pcl3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3238.4318928; Eh
	8-Nov-2018	/water/complexes aq-oZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2424.1324401; Eh
	8-Nov-2018	/water/complexes aq-pcl3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1898.5211475; Eh
	8-Nov-2018	/water/complexes aq-pcl3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2644.1898551; Eh
	8-Nov-2018	/water/complexes aq-pf3zncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2249.0817623; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-31+G(D,P)	-772.848606717; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-31+G(D,P)	-849.278233169; Eh
	8-Nov-2018	/water/complexes aq-piridinaaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1764.7645797; Eh
	9-Nov-2018	/vacuum/complexes omeauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-594.078064337; Eh
	8-Nov-2018	/water/complexes aq-piridinahgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-424.8257499; Eh

Results 1561-1570 of 12842 (Search time: 0.004 seconds).