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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/vacuum/complexes omenbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-396.100694019; Eh
	8-Nov-2018	/water/complexes aq-hecro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-315.5856023; Eh
	8-Nov-2018	/vacuum/complexes sih3-k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-319.599511211; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-seh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2779.88183786; Eh
	8-Nov-2018	/vacuum/complexes bpinfecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1758.76798523; Eh
	9-Nov-2018	/water//water complexes aq-h2orhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-568.6592985; Eh
	9-Nov-2018	/water//water complexes aq-h2rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-493.3669599; Eh
	8-Nov-2018	/vacuum/complexes imno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-341.392991248; Eh
	9-Nov-2018	/water//water complexes aq-h2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-815.8845175; Eh
	9-Nov-2018	/water//water complexes aq-h2nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-281.9653314; Eh

Results 4091-4100 of 12842 (Search time: 0.005 seconds).