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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 shfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1443.22598903; Eh
	9-Nov-2018	/vacuum/complexes sime3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-437.574916628; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-nhcho-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-551.895600803; Eh
	9-Nov-2018	/vacuum/complexes sime3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-986.697981225; Eh
	9-Nov-2018	/vacuum/complexes pme3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1038.46615015; Eh
	9-Nov-2018	/vacuum/complexes sih3-ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2639.76196995; Eh
	9-Nov-2018	/vacuum/complexes sfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-975.502586098; Eh
	9-Nov-2018	/vacuum/complexes sih3-nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-572.212040053; Eh
	9-Nov-2018	/vacuum/complexes shcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.697633773; Eh
	9-Nov-2018	/vacuum/complexes shfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-976.208374312; Eh

Results 24681-24690 of 104471 (Search time: 0.015 seconds).