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Showing results 13283 to 13302 of 26216 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Nov-2018	/noDisp/complexes sin-pcl3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3412.1715166; Eh
9-Nov-2018	/noDisp/complexes sin-pcl3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1938.3712126; Eh
9-Nov-2018	/noDisp/complexes sin-pcl3ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3160.8285005; Eh
9-Nov-2018	/noDisp/complexes sin-pcl3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2355.9082076; Eh
9-Nov-2018	/noDisp/complexes sin-pcl3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1988.7852126; Eh
9-Nov-2018	/noDisp/complexes sin-pcl3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-4070.5017316; 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
9-Nov-2018	/noDisp/complexes sin-ph3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1966.3941261; Eh
9-Nov-2018	/noDisp/complexes sin-ph3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1859.5675855; Eh
9-Nov-2018	/noDisp/complexes sin-ph3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-821.8955353; Eh
9-Nov-2018	/noDisp/complexes sin-ph3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-770.8245296; Eh
9-Nov-2018	/noDisp/complexes sin-ph3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-655.8534157; Eh
9-Nov-2018	/noDisp/complexes sin-ph3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-709.6526318; Eh
9-Nov-2018	/noDisp/complexes sin-ph3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1387.2653324; Eh
9-Nov-2018	/noDisp/complexes sin-ph3fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1847.9441304; Eh
9-Nov-2018	/noDisp/complexes sin-ph3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-920.4622834; Eh
9-Nov-2018	/noDisp/complexes sin-ph3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.6064457; Eh
9-Nov-2018	/noDisp/complexes sin-ph3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1265.2606954; Eh
9-Nov-2018	/noDisp/complexes sin-ph3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1247.0395606; Eh
9-Nov-2018	/noDisp/complexes sin-ph3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-371.3064494; Eh

Showing results 13283 to 13302 of 26216 < previous next >