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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 omecuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-352.461854473; Eh
	9-Nov-2018	/vacuum/complexes ohfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1120.25232745; Eh
	9-Nov-2018	/vacuum/complexes ohfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-653.207128167; Eh
	9-Nov-2018	/vacuum/complexes omeptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-577.747876775; Eh
	9-Nov-2018	/vacuum/complexes ohmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1340.52329933; Eh
	9-Nov-2018	/vacuum/complexes ohk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-104.160301889; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-nch33-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-556.950920994; Eh
	9-Nov-2018	/vacuum/complexes tiofenohgi2_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-729.482704121; Eh
	9-Nov-2018	/vacuum/complexes xenbnh24_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-296.240554044; Eh
	9-Nov-2018	/vacuum/complexes omeaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1631.65556941; Eh

Results 10771-10780 of 12354 (Search time: 0.007 seconds).