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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-fenilniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-745.8554144; Eh
	9-Nov-2018	/vacuum/complexes imidazolZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2574.77111422; Eh
	9-Nov-2018	/water//water complexes aq-fenilalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1855.0860358; Eh
	9-Nov-2018	/water//water complexes aq-fenilpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-702.872206; Eh
	9-Nov-2018	/water//water complexes aq-fk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-128.2783139; Eh
	23-Aug-2018	/ni3p2_ni2p/h2 1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-640.37805083; eV
	9-Nov-2018	/water//water complexes aq-coircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1017.3087865; Eh
	9-Nov-2018	/water//water complexes aq-fcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-466.8584008; Eh
	9-Nov-2018	/water//water complexes aq-coptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-732.1533118; Eh
	9-Nov-2018	/water//water complexes aq-coauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-592.1412626; Eh

Results 21131-21140 of 103542 (Search time: 0.022 seconds).