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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	/vacuum/complexes omealcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1738.52589862; Eh
	16-May-2018	AuCl_mobility_b6_ts	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	PBE	-	-1985.92753946; eV
	16-May-2018	AuCl_mobility_b4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	PBE	-	-1990.50007846; eV
	16-May-2018	AuCl_mobility_b3_ts	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	PBE	-	-2011.05988109; eV
	16-May-2018	AuCl_mobility_b4_ts	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	PBE	-	-1990.41336024; eV
	16-May-2018	AuCl_mobility_b2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	PBE	-	-1995.79714017; eV
	16-May-2018	AuCl_mobility_b3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	PBE	-	-2011.07688226; eV
	16-May-2018	AuCl_mobility_b5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	PBE	-	-1990.16359759; eV
	16-May-2018	AuCl_mobility_b1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	PBE	-	-1996.36068711; eV
	16-May-2018	AuCl_mobility_b1_ts	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	PBE	-	-1995.52880339; eV

Results 22621-22630 of 104508 (Search time: 0.015 seconds).