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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes pme3fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1965.93312362; Eh
	9-Nov-2018	/vacuum/complexes pme3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-975.227882190; Eh
	9-Nov-2018	/vacuum/complexes pf3agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1014.03369324; Eh
	9-Nov-2018	/vacuum/complexes pf3snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-763.854359314; Eh
	9-Nov-2018	/noDisp/ligands sin-piridinab3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-248.2908557; Eh
	9-Nov-2018	/vacuum/complexes pcl3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3104.81812128; 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 pme3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-637.596915550; Eh

Results 5421-5430 of 12842 (Search time: 0.006 seconds).