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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-Nov-2018	/water/complexes aq-nchhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-269.9478238; Eh
8-Nov-2018	/water/complexes aq-ncshgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-667.720533; Eh
8-Nov-2018	/water/complexes aq-ncsincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1413.477952; Eh
9-Nov-2018	/vacuum/complexes ofenopdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-701.134884889; Eh
14-Jul-2015	radicalP3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-157.655545947; Eh
14-Jul-2015	radicalP8_3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.941000086; Eh
14-Jul-2015	radicalP8_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.941367497; Eh
14-Jul-2015	radicalP7_5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.227224205; Eh
14-Jul-2015	radicalP7_3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.227165726; Eh
14-Jul-2015	radicalP9_3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.942515465; Eh

Results 1771-1780 of 12842 (Search time: 0.004 seconds).