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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	water_sp2_ts_pdpf3_c_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3572.02208837; Eh
	9-Nov-2018	/vacuum/complexes tiofenoZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2901.53286494; Eh
	9-Nov-2018	/vacuum/complexes smeircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1342.24187868; Eh
	9-Nov-2018	/vacuum/complexes tiofenomno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-882.659986729; Eh
	9-Nov-2018	/vacuum/complexes brcuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-250.786115877; Eh
	9-Nov-2018	/vacuum/complexes xepdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-486.636847954; Eh
	9-Nov-2018	/vacuum/complexes xemno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-345.117081042; Eh
	9-Nov-2018	/vacuum/complexes xewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-649.434521249; Eh
	9-Nov-2018	/vacuum/complexes smefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1482.54437237; Eh
	9-Nov-2018	/vacuum/complexes xeircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-919.401966270; Eh

Results 6731-6740 of 12842 (Search time: 0.006 seconds).