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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2016	pdau-c4h7o-oh	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-410.08714547; eV
	9-May-2016	pdau-c4h8o-o	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-410.50551484; eV
	9-May-2016	TS_II_prime	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-409.38998571; eV
	9-May-2016	TS_III_prime	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-410.11812521; eV
	9-May-2016	ROH_VASP	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-71.57993106; eV
	9-May-2016	RO_VASP	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-64.08390787; eV
	9-May-2016	pdau-o	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-337.99262071; eV
	9-May-2016	pdau	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-332.76751180; eV
	9-May-2016	PdII_Cl_2OH_ROH	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-971.784100730; Eh
	9-May-2016	PdII_Cl_H_OOH_RO	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-970.492750935; Eh

Results 651-660 of 104079 (Search time: 0.003 seconds).