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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	9-Nov-2018	/vacuum/complexes ph3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1725.97817553; Eh
	9-Nov-2018	/vacuum/complexes scnhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-667.633204957; Eh
	9-Nov-2018	/vacuum/complexes piridinaznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-531.425615770; Eh
	9-Nov-2018	/vacuum/complexes piridinaaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-476.974873256; Eh
	9-Nov-2018	/vacuum/complexes scnaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-719.829031114; Eh
	9-Nov-2018	/vacuum/complexes scncrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-960.061547515; Eh
	9-Nov-2018	/vacuum/complexes piridinacuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-485.593110419; Eh

Results 4541-4550 of 12842 (Search time: 0.005 seconds).