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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-PdAg-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-218.97944195; eV
	17-Oct-2017	/Adsorption/niru/7x4 B_3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.22112554; eV
	22-Jul-2018	/G09/G09_P303/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_P303/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_P303/Int Int	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-2961.01312432; Eh
	22-Jul-2018	/G09/G09_P303/NO3 NO3	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-280.462693957; Eh
	22-Jul-2018	/G09/G09_P303/H2 H2	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1.17475627714; Eh
	22-Jul-2018	/G09/G09_P303/UO2_2NO3_2H2O UO2_2NO3_2H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1341.24131439; Eh
	22-Jul-2018	/G09/G09_P303/UO2_NO3_2H2O UO2_NO3_2H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1060.71341943; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-152.872875832; Eh

Results 18501-18510 of 104512 (Search time: 0.011 seconds).