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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 h2spdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1214.03902694; Eh
	9-Nov-2018	/noDisp/complexes sin-ohincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-998.2368651; Eh
	9-Nov-2018	/vacuum/complexes h2spdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-870.504849225; Eh
	9-Nov-2018	/noDisp/complexes sin-pf3zncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2248.9943616; Eh
	5-Nov-2018	1	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	DFT	-	-872.67667134; eV
	9-Nov-2018	/noDisp/complexes sin-pcl3fecl3-bai_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-3226.7980836; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinahgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-424.7683489; Eh
	9-Nov-2018	/noDisp/complexes sin-scnincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1413.4374883; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1572.9921951; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-409.2445502; Eh

Results 14841-14850 of 104583 (Search time: 0.011 seconds).