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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_N_N_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-849.580826066; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_N_W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-712.235266816; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts Int_W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-712.251584165; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_N_N_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-773.130678528; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts Int_N_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-773.143736297; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts Int_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-635.802562118; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts I_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-559.355714112; Eh
	19-Mar-2026	/Nb Nb08O25-5H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-11.82975539; Eh
	1-Dec-2017	/Racemization/TS_H/Scan/DZP DZP	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.47243730; Eh
	8-May-2017	Ru-3-50	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-356.54686347; eV

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