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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Apr-2023	/redCO2 Cu(211)-2AD-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-181.55032602; eV
	13-Apr-2023	/redCO2 Cu(100)-2AD-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-168.29171707; eV
	13-Apr-2023	/redCO2 Cu(533)-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-260.79540833; eV
	13-Apr-2023	/DOS Cu(100)-4AD-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-139.95477888; eV
	13-Apr-2023	/DOS Cu(111)-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-128.44571311; eV
	13-Apr-2023	/DOS Cu(533)-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-224.82693907; eV
	13-Apr-2023	/DOS Cu(100)-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-125.91437528; eV
	6-Sep-2024	/BP86/W W06O22-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	28-Apr-2023	42_CO2	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-188.575589317; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c2_01/Co_Fe_N_din6_s_c2_01 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.96827998; eV

Results 29231-29240 of 101953 (Search time: 0.019 seconds).