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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 pf3cuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-878.261512575; Eh
	9-Nov-2018	/vacuum/complexes pf3ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1103.59061453; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-hcooo-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-646.937401336; Eh
	9-Nov-2018	/vacuum/complexes pme3yh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-880.788540722; Eh
	9-Nov-2018	/vacuum/complexes pcl3zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2114.42050837; Eh
	9-Nov-2018	/vacuum/complexes pf3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1155.10441506; Eh
	9-Nov-2018	/vacuum/complexes pf3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2023.80079502; Eh
	9-Nov-2018	/vacuum/complexes pf3znnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-923.996155351; Eh
	9-Nov-2018	/vacuum/complexes omehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-291.679599190; Eh
	9-Nov-2018	/vacuum/complexes ohnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-356.791698912; Eh

Results 10751-10760 of 12354 (Search time: 0.009 seconds).