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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2024	Ti_TS2	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	30-Mar-2023	Isomer_I	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41735415; Eh
	31-Jul-2023	/M_P_SACs/M_sq_C5P1/Rh_sq_C5P1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-644.31318305; eV
	9-Apr-2023	/Bulks Au-bulk	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-15.50155594; eV
	17-Jul-2022	/redCO2 Cu(100)-4AD-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-146.85652988; eV
	17-Jul-2022	/redCO2 Cu(711)-2AD-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-182.12173264; eV
	17-Jul-2022	/redCO2 Cu(533)-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-231.37042747; eV
	17-Jul-2022	/redCO2 Cu(211)-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-146.08976417; eV
	17-Jul-2022	/redCO2 Cu(310)-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-104.90658211; eV
	29-Jan-2024	Nb_Int1_Or	Garay Ruiz, Diego	ADF; 2016	Geometry optimization	PBE	TZ2P	-

Results 49151-49160 of 104124 (Search time: 0.029 seconds).