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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/ni3p2_ni2p/ts_methyl_but_ol c2h5+h_2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-730.06191057; eV
	23-Aug-2018	/ni3p2_ni2p/ts_methyl_but_ol ts_4_5_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-728.96220409; eV
	9-Nov-2018	/water//water complexes aq-fenilircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1135.7769481; Eh
	9-Nov-2018	/water//water complexes aq-fenilfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1276.0802614; Eh
	9-Nov-2018	/water//water complexes aq-fenilconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-660.1676304; Eh
	9-Nov-2018	/water//water complexes aq-fenilnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-512.5875525; Eh
	9-Nov-2018	/water//water complexes aq-conbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-394.1188248; Eh
	9-Nov-2018	/water//water complexes aq-coZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2461.9124119; Eh
	9-Nov-2018	/water//water complexes aq-corush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1803.5412614; Eh
	9-Nov-2018	/water//water complexes aq-cocro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-426.0307818; Eh

Results 22541-22550 of 103529 (Search time: 0.014 seconds).