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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jul-2020	rol3_BrCH2-Pt-Br	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-655.41808700; eV
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts Int_N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-772.480991952; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts Int_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-711.677431731; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts Int_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-635.277412013; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-837.977447675; Eh
	5-Feb-2019	I9-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-789.393375945; Eh
	5-Feb-2019	I13-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-783.090432082; Eh
	5-Feb-2019	I14-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-884.049823702; Eh
	5-Feb-2019	I11-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-872.449143083; Eh
	5-Feb-2019	I12-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-546.333606506; Eh

Results 1451-1460 of 104079 (Search time: 0.004 seconds).