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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-herhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-494.3886615; Eh
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 c2h2+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-666.25984378; eV
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 ts_2_3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-665.32647705; eV
	23-Aug-2018	/ni3p2_ni2p/c2h4 5	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-666.08481029; eV
	9-Nov-2018	/water//water complexes aq-cnfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1137.2687875; Eh
	9-Nov-2018	/water//water complexes aq-cnZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2441.5983255; Eh
	9-Nov-2018	/water//water complexes aq-clznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-727.3447469; Eh
	9-Nov-2018	/water//water complexes aq-cnniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.1007239; Eh
	9-Nov-2018	/water//water complexes aq-closo3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-776.3361555; Eh
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 c2h3+h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-666.06009437; eV

Results 21151-21160 of 103542 (Search time: 0.013 seconds).