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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Oct-2018	1_4	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g(d)	-1211.87018732; Eh
	8-Nov-2018	/water/complexes aq-iptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-630.4537071; Eh
	8-Nov-2018	/water/complexes aq-hepdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-474.0020776; Eh
	8-Nov-2018	/water/complexes aq-iauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-490.4495711; Eh
	8-Nov-2018	/water/complexes aq-ipdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-482.7326686; Eh
	9-Nov-2018	/vacuum/complexes nh2mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-385.907752856; Eh
	8-Nov-2018	/water/complexes aq-iniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-525.7096372; Eh
	8-Nov-2018	/water/complexes aq-iwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-645.545819; Eh
	8-Nov-2018	/water/complexes aq-heptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-621.6998531; Eh
	8-Nov-2018	/water/complexes aq-irush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1701.8203487; Eh

Results 3231-3240 of 12842 (Search time: 0.005 seconds).