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Browsing by Author Escofet, Imma

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-Jan-2020	1a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G GEN*	-540.276142487; Eh
8-Jan-2020	2a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G GEN*	-583.384583717; Eh
25-Apr-2020	A-Int1a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.37188981; Eh
25-Apr-2020	A-Int1c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.36318320; Eh
25-Apr-2020	A-Int2a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.38032723; Eh
25-Apr-2020	A-Int2c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.37405374; Eh
25-Apr-2020	A-Int3a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4241.19803338; Eh
25-Apr-2020	A-Int3c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4241.19411247; Eh
25-Apr-2020	A-Int4a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4241.22251705; Eh
25-Apr-2020	A-Int4c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4241.20737493; Eh
25-Apr-2020	A-TSInt1a-2a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.36450210; Eh
25-Apr-2020	A-TSInt1c-2c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.35316045; Eh
25-Apr-2020	A-TSInt3a-4a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-4241.19083258; Eh
25-Apr-2020	A-TSInt3c-4c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-4241.18599520; Eh
8-Jan-2020	AuPMe3	Escofet, Imma	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-596.603072418; Eh
25-Apr-2020	B-Int1b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.38134937; Eh
25-Apr-2020	B-Int1d	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.37466010; Eh
25-Apr-2020	B-Int2b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.37236583; Eh
25-Apr-2020	B-Int2d	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4167.38367926; Eh
25-Apr-2020	B-Int3b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-4241.19177511; Eh

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