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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 brsnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-136.561496753; Eh
	9-Nov-2018	/vacuum/complexes brniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-527.591076435; Eh
	9-Nov-2018	/vacuum/complexes brfecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1518.22181362; Eh
	9-Nov-2018	/vacuum/complexes ch3-aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-268.645851630; Eh
	9-Nov-2018	/vacuum/complexes brgacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1396.37631904; Eh
	9-Nov-2018	/vacuum/complexes brincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-935.820793479; Eh
	9-Nov-2018	/vacuum/complexes brzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1621.40048904; Eh
	9-Nov-2018	/vacuum/complexes brhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-189.999140273; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-781.377005623; Eh
	9-Nov-2018	/vacuum/complexes brcrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-482.425650408; Eh

Results 25341-25350 of 104445 (Search time: 0.018 seconds).