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Showing results 24797 to 24816 of 25917 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-Nov-2018	/water/complexes aq-fenilincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1154.0700268; Eh
8-Nov-2018	/water/complexes aq-fenilomealcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1969.6178746; Eh
8-Nov-2018	/water/complexes aq-fenilomeaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1862.8152882; Eh
8-Nov-2018	/water/complexes aq-fenilomeauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-825.1547602; Eh
8-Nov-2018	/water/complexes aq-fenilomeb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-346.2327953; Eh
8-Nov-2018	/water/complexes aq-fenilomeconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-774.6978902; Eh
8-Nov-2018	/water/complexes aq-fenilomecro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-659.0840344; Eh
8-Nov-2018	/water/complexes aq-fenilomecunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-713.1474306; Eh
8-Nov-2018	/water/complexes aq-fenilomefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1390.6152316; Eh
8-Nov-2018	/water/complexes aq-fenilomefeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-923.6384336; Eh
8-Nov-2018	/water/complexes aq-fenilomehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-522.8336316; Eh
8-Nov-2018	/water/complexes aq-fenilomeincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1268.6033994; Eh
8-Nov-2018	/water/complexes aq-fenilomeircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1250.3076848; Eh
8-Nov-2018	/water/complexes aq-fenilomek	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-374.5166749; Eh
8-Nov-2018	/water/complexes aq-fenilomemno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-676.1551481; Eh
8-Nov-2018	/water/complexes aq-fenilomemosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1610.8652029; Eh
8-Nov-2018	/water/complexes aq-fenilomenbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-627.1189659; Eh
8-Nov-2018	/water/complexes aq-fenilomeoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-662.3646322; Eh
8-Nov-2018	/water/complexes aq-fenilomepdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1161.0377374; Eh
8-Nov-2018	/water/complexes aq-fenilomepdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-817.4025312; Eh

Showing results 24797 to 24816 of 25917 < previous next >