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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Feb-2020	/Multi_Br/Ni/bulk/Br_02 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-191.58986645; eV
	5-May-2020	Odes-CuₘOₙ-site-18-sol-on	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1904.52796765; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-18	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1936.48166685; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-19	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1463.11244807; eV
	18-Feb-2021	/FormicAcid TS_Peroxo_Break	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.356819639; Eh
	28-May-2022	/CuAg Cu2Ag3(100)-O-CHCH2COH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-228.86105666; eV
	28-May-2022	/CuAg Cu2Ag3(100)-O-CHCH2CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.25185051; eV
	28-May-2022	/CuAg Cu2Ag3(100)-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-205.03900671; eV
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3nch33_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-214.312688567; Eh
	7-Feb-2020	/Multi_Br/Ni/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	-	-199.01230726; eV

Results 17631-17640 of 103529 (Search time: 0.013 seconds).