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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2017	Int8h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1138.05061331; Eh
	10-Feb-2020	CHOH_on_O_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-156.61504082; eV
	14-Jul-2015	Adsorption_of_ClC6H4NO2_on_Pt(111)	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-534.52984167; eV
	30-Jun-2020	i112102	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-152.44704797; eV
	30-Jun-2020	i111102	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-144.49566254; eV
	21-Jul-2017	TS(7-10)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31G; SDD*	-1137.97965738; Eh
	21-Jul-2017	TS(12-5)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1137.99045733; Eh
	21-Jul-2017	TS(6-9)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1137.98765919; Eh
	21-Jul-2017	Int12h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1137.99217859; Eh
	21-Jul-2017	Int9h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1138.05035270; Eh

Results 4841-4850 of 104124 (Search time: 0.006 seconds).