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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Oct-2023	/Opt I_c14	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.43041013; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c2_12/Ru_Fe_N_din6_s_c2_12 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.13693656; eV
	22-Aug-2018	/xps/Co_Cu3 116	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.55337014; eV
	1-Jul-2023	pristine-3xN6-pristine-3xN6-4.26_04	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1968.87954783; eV
	1-Jul-2023	pristine-3xN6-pristine-3xN6-4.26_05	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1968.87531624; eV
	25-Jun-2024	/Intermediates/Cu/110 C3H6O	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-307.95333382; eV
	25-Jun-2024	/Intermediates/Rh/110 C6H6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-570.03133427; eV
	29-Jan-2024	Hf_Int3_2O	Garay Ruiz, Diego	ADF;	Geometry optimization	PBE	TZ2P	-
	29-Jan-2024	Hf_Int5_2O	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	29-Jan-2024	Hf_Int5	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-

Results 30351-30360 of 103542 (Search time: 0.018 seconds).