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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 sih3-alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1914.64487214; Eh
	9-Nov-2018	/vacuum/complexes sih3-oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-607.355942387; Eh
	9-Nov-2018	/vacuum/complexes shcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-711.627921496; Eh
	4-Jan-2022	CeHoHo	Garay Ruiz, Diego	ADF; 2019	Geometry optimization	BP86	TZP; DZP	-
	9-Nov-2018	/vacuum/complexes sime3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1453.67828156; Eh
	9-Nov-2018	/vacuum/complexes sih3-rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-783.472562112; Eh
	9-Nov-2018	/vacuum/complexes pme3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2809.65297993; Eh
	9-Nov-2018	/vacuum/complexes shconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-827.025507313; Eh
	9-Nov-2018	/vacuum/complexes sih3-cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-604.112230277; Eh
	9-Nov-2018	/vacuum/complexes pme3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1275.79731777; Eh

Results 25391-25400 of 104445 (Search time: 0.017 seconds).