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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-ohk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-104.1598856; Eh
	13-Apr-2021	4O-doped-Ni(100)-3x3-CH2CH(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-463.09822906; eV
	9-Nov-2018	/noDisp/complexes sin-oircoph32_nhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-979.3185532; Eh
	9-Nov-2018	/vacuum/complexes fenilno2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1251.01413091; Eh
	9-Nov-2018	/noDisp/complexes sin-ohfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-653.1983271; Eh
	9-Nov-2018	/noDisp/complexes sin-ohnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-356.7832822; Eh
	9-Nov-2018	/noDisp/complexes sin-ohrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1766.0810302; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-372.0699272; Eh
	9-Nov-2018	/vacuum/complexes fenilno2pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-907.329615116; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-323.3976722; Eh

Results 23551-23560 of 103928 (Search time: 0.013 seconds).