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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/EG_LG_water f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-100.028972427; Eh
	7-Feb-2020	/Multi_Br/Ru/Add_CH/Br_1 Br_1	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-334.26370343; eV
	7-Feb-2020	/Multi_Br/Ir/Add_Br/Br_1 Br_1	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-312.64624359; eV
	7-Feb-2020	/Multi_Br/Rh/Add_Br/Br_2 Br_2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-260.81757374; eV
	7-Feb-2020	/Multi_Br/Ru/Add_Br/Br_1 Br_1	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-325.07879726; eV
	7-Feb-2020	/Multi_Br/Rh/Add_CH/Br_2 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-246.76832579; eV
	7-Feb-2020	/Multi_Br/Rh/bulk/Br_01 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-229.47265539; eV
	5-May-2020	pourbaix-4R-ox	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1916.49314594; eV
	18-Feb-2021	/Formamide Carbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.526100616; Eh
	7-Feb-2020	/Multi_Br/Ir/Add_CH/Br_1 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-299.06896192; eV

Results 17501-17510 of 103529 (Search time: 0.012 seconds).