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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes fenilno2tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-652.834818005; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-961.8775769; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1157.7952821; Eh
	9-Nov-2018	/vacuum/complexes fenilomemosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1610.84935558; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-814.2689863; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1966.3941261; Eh
	9-Nov-2018	/vacuum/complexes h2sauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-878.127785691; Eh
	9-Nov-2018	/noDisp/complexes sin-ooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-391.5944453; Eh
	30-Sep-2021	/Water/TS_water ch3seh-och2ch3-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2596.64341874; Eh
	9-Nov-2018	/vacuum/complexes fenilomeZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2694.65531659; Eh

Results 21381-21390 of 103542 (Search time: 0.013 seconds).