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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-sih3-k_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-319.6020741; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-986.6744388; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-978.7011836; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-722.085698; Eh
	9-Nov-2018	/noDisp/complexes sin-shaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1915.3460494; Eh
	9-Nov-2018	/vacuum/complexes h2srush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2089.57238771; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1224.1110552; Eh
	30-Sep-2021	/Water/TS_water ch3seh-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2518.00763746; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1925.838213; Eh
	9-Nov-2018	/vacuum/complexes h2srhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-890.995240447; Eh

Results 5681-5690 of 12842 (Search time: 0.005 seconds).