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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_9_(R)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-
	29-Jan-2016	TS6(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5614.97304524; Eh
	29-Jan-2016	TS4(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12148157; Eh
	29-Jan-2016	TS5(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.11839579; Eh
	29-Jan-2016	TS6(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-5614.97304524; Eh
	29-Jan-2016	TS5(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.11839579; Eh
	29-Jan-2016	TS4(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G(d,p); LANL2DZ	-5146.12148136; Eh
	1-Sep-2023	B-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1456.0459921; Eh
	12-Feb-2019	ss-CuFe-2621	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-275.95052916; eV
	12-Feb-2019	ss-IrCu-2421	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-389.09665299; eV

Results 33901-33910 of 103689 (Search time: 0.021 seconds).