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Browsing by Author Swart, Marcel

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Jun-2017	/Atoms Co1	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms Co3	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms Co5	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms Fe0	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms Fe2	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms Fe4	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms V1	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms V3	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Atoms V5	Swart, Marcel	ADF;	Single point	DFT	TZ2P	-
9-Jun-2017	/Butterfly butterfly02	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Butterfly butterfly04	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Butterfly butterfly06	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Butterfly butterfly08	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Butterfly butterfly12	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Butterfly butterfly14	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Linear linear04	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Linear linear08	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Linear linear10	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
9-Jun-2017	/Lv3 Lv3	Swart, Marcel	ADF; 2017	Geometry optimization	DFT	TZ2P	-
9-Jun-2017	/Lv3 Lv3_sp	Swart, Marcel	ADF; 2017	Single point	DFT	TZ2P	-

Showing results 1 to 20 of 46 next >