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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes piridinapdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1062.97692475; Eh
	9-Nov-2018	/vacuum/complexes piridinarush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1938.51276222; Eh
	9-Nov-2018	/vacuum/complexes piridinanbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-529.058171939; Eh
	9-Nov-2018	/vacuum/complexes piridinaZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2596.84169688; Eh
	9-Nov-2018	/vacuum/complexes piridinaticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1687.21797326; Eh
	9-Nov-2018	/vacuum/complexes piridinaoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-563.901451737; Eh
	9-Nov-2018	/vacuum/complexes sauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-877.209977230; Eh
	9-Nov-2018	/vacuum/complexes scnk2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.411450485; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-seh-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2784.71896426; Eh
	9-Nov-2018	/vacuum/complexes fenilno2rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2126.45580307; Eh

Results 5251-5260 of 12842 (Search time: 0.006 seconds).