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Browsing by Author Escofet, Imma

Showing results 21 to 40 of 201 < previous next >

Title	Author(s)	Program	Method(s)	Basis Set	Energy
32-Int3a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.79641003; Eh
32-Int3b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.79937715; Eh
32-TS1-2a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.78435382; Eh
32-TS1-2b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.78286990; Eh
32-TS1-3a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.78135974; Eh
32-TS1-3b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.78034047; Eh
32-TS3a-2a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.78909454; Eh
32-TS3b-2b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RBP86	6-31G SDD GENECP*	-1560.79723704; Eh
9a-Int6	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1448.58726727; Eh
9a-Int7a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1448.59199111; Eh
9a-Int7b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1448.58561868; Eh
9a-TS6-7a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1448.58026045; Eh
9a-TS6-7b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1448.56561761; Eh
9aa-Int1a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1564.27304488; Eh
9aa-Int1b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1564.27204468; Eh
9aa-Int1c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1564.27345491; Eh
9aa-Int2	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1564.27609729; Eh
9aa-Int3	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1564.27825180; Eh
9aa-Int5	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1564.29165613; Eh
9aa-TS1a-5	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	6-31G SDD GENECP*	-1564.25358617; Eh

Showing results 21 to 40 of 201

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Browsing by Author Escofet, Imma