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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 imidazolaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1742.67527322; Eh
	9-Nov-2018	/vacuum/complexes imidazolhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-402.716059852; Eh
	9-Nov-2018	/vacuum/complexes imidazolcuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-463.524973781; Eh
	9-Nov-2018	/vacuum/complexes hesnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-125.767766875; Eh
	9-Nov-2018	/vacuum/complexes hezncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1610.91354926; Eh
	9-Nov-2018	/vacuum/complexes hehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-179.372513899; Eh
	4-Jan-2022	/C-C_bond_formation/opt/Single_Points C_E_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.1512988; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-537.027251539; Eh
	9-Nov-2018	/vacuum/complexes piridinaniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-762.411579643; Eh
	9-Nov-2018	/vacuum/complexes ohnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2169.89899340; Eh

Results 21671-21680 of 103542 (Search time: 0.015 seconds).