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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	dmf_dostransph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+G(D,P) SDD GEN	-3425.570973; Eh
	12-Feb-2019	sa-AuCd-2621	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-202.84993253; eV
	12-Feb-2019	ol-RhFe-2224	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-382.88131419; eV
	12-Feb-2019	sa-CdRh-2312	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-78.15734994; eV
	12-Feb-2019	sa-AuCd-1212	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-170.76085297; eV
	12-Feb-2019	sa-CdZn-2316	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-69.97709403; eV
	12-Feb-2019	sa-NiPd-2214	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-283.37068300; eV
	12-Feb-2019	sa-CdCo-2202	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-64.99445620; eV
	12-Feb-2019	sa-CuCo-1301	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-193.96810158; eV
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_2_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-

Results 33971-33980 of 103569 (Search time: 0.022 seconds).