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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Feb-2019	Ph-rad	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(d,p)	-231.388259783; Eh
	5-Feb-2019	DMF	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(d,p)	-248.371944771; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts A_N_N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-772.475607265; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts A_N_N_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-848.875188450; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts A_N_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-711.668160159; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts A_N_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-635.268255757; Eh
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/t-ZnZrOx-1vac/Zn-subsurf-t-ZnZrOx-1vac m4-t-ZnZrOx-vac-s-12	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-431.78867630; eV
	5-Feb-2019	I8-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-789.400984129; Eh
	5-Feb-2019	I6-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-457.252275401; Eh
	5-Feb-2019	I7-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD	-220.460056006; Eh

Results 1441-1450 of 104079 (Search time: 0.004 seconds).