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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-fenilomemno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-676.127259; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomek	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-374.4597536; Eh
	30-Sep-2021	/Water/TS_water ch3seh-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2840.99393396; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1390.5701965; Eh
	9-Nov-2018	/noDisp/complexes sin-chch2aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1594.5259335; Eh
	9-Nov-2018	/noDisp/complexes sin-aucl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1516.3625732; Eh
	9-Nov-2018	/noDisp/complexes sin-faucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1616.3769399; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomeconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-774.3693277; Eh
	9-Nov-2018	/vacuum/complexes h2sfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-976.701445898; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-408.1956668; Eh

Results 5751-5760 of 12842 (Search time: 0.005 seconds).