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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	SP_k_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-599.8385765; Eh
	1-Jun-2024	/Bulks/Alloys Ce₃Pt₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Bulks/Alloys CePt₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Bulks/Alloys CePt	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/AsMoW As01Mo04W05O31-0H-iso-20169	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.75816241; Eh
	28-Aug-2024	SP_c60cn_radical_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM062X	6-311+G(D,P)	-2378.7084826; Eh
	28-Aug-2024	SP_kcn_10cat_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-6835.4892993; Eh
	28-Aug-2024	SP_c60_nrs_highereps	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-2285.9090466; Eh
	28-Aug-2024	SP_kcn_2cat_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-1292.6822848; Eh
	28-Aug-2024	SP_c60_radicalanion	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM062X	6-311+G(D,P)	-2286.048583; Eh

Results 81201-81210 of 104124 (Search time: 0.051 seconds).