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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-RhZn-2402	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-361.69143386; eV
	8-Nov-2018	/water/complexes aq-sime3nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.203962; Eh
	9-Nov-2018	/vacuum/complexes omeZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2463.64879957; Eh
	27-Oct-2017	/DFT/Water TS3_3_1	Bandeira, Nuno	ADF; 2016	TS	DFT	TZP; DZP	-46.26625739; Eh
	29-Feb-2016	FCb-trans-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2464.25798761; Eh
	23-Aug-2018	/solvation/no_solv methyl_but_ol+4h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-97.05949283; eV
	2-Aug-2018	MDsnap_trimer2_1760	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.28728286; eV
	12-Feb-2019	sa-RuCu-2316	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-453.59410653; eV
	12-Feb-2019	sa-RhZn-2324	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-371.58400743; eV
	12-Feb-2019	sa-RhCo-1411	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-363.91933105; eV

Results 2561-2570 of 103928 (Search time: 0.005 seconds).