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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2016	PdII_Cl2_O2	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-1198.50814293; Eh
	9-May-2016	MECP	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	UPBEPBE	6-31+G; SDD*	-1198.48177757; Eh
	9-May-2016	PdCl2	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-1048.26575163; Eh
	9-May-2016	ROH	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-232.146975576; Eh
	9-May-2016	H2O2	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-151.411054333; Eh
	9-May-2016	Cl-	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Structure	RPBEPBE	-	-460.167517893; Eh
	9-May-2016	RO	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-230.961473784; Eh
	22-Feb-2020	TScisVI_VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.27969006; Eh
	22-Feb-2020	TScisVI_VII_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.1834449; Eh
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 Dissociated_MTDA2_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1225.28613110; eV

Results 17841-17850 of 104512 (Search time: 0.011 seconds).