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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3ph2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-382.495687468; Eh
	7-Feb-2020	/Multi_Br/Ni/bulk/Br_01 Br_01	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-191.82585280; eV
	7-Feb-2020	/Multi_Br/Ni/bulk/Br_01 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-187.89084164; eV
	5-May-2020	Odes-CuₘOₙ-site-17-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-site-16-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
	18-Feb-2021	/FormicAcid Reactive_Complex	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.398183601; Eh
	28-May-2022	/CuAg Cu2Ag3(100)-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-210.72461061; eV
	30-Sep-2021	/Water/EG_LG_water br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-13.3461225462; Eh
	7-Feb-2020	/Multi_Br/Ni/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	-	-195.14036311; eV
	7-Feb-2020	/Multi_Br/Ni/bulk/Br_02 Br_02	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-195.37101098; eV

Results 17621-17630 of 103529 (Search time: 0.011 seconds).