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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jul-2018	/G09/G09_P1/H2 H2	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1.17475627714; Eh
	22-Jul-2018	/G09/G09_P1/UO2_OH_NO3_H2O UO2_OH_NO3_H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1060.29703069; Eh
	22-Jul-2018	/G09/G09_P1/Product Product	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-2959.73691550; Eh
	22-Jul-2018	/G09/G09_P1/HNO3 HNO3	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-280.901855340; Eh
	22-Jul-2018	/G09/G09_P1/Py Py	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-248.306049404; Eh
	22-Jul-2018	/G09/G09_P1/UO2_NO3_2H2O UO2_NO3_2H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1060.71341943; Eh
	20-Mar-2024	A_N_N_W	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-850.0197495; Eh
	20-Mar-2024	Int_W_W	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-712.5885291; Eh
	20-Mar-2024	TS1NW	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-849.9998425; Eh
	20-Mar-2024	I_N_W	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-773.5452483; Eh

Results 361-370 of 404 (Search time: 0.002 seconds).