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Showing results 1 to 14 of 14

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-May-2018	ScGdC2@C1(34647)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.51750024; Eh
	31-May-2018	ScGdC2@C1(36652)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.50153281; Eh
	31-May-2018	ScGdC2@C1(39631)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.52842690; Eh
	31-May-2018	ScGdC2@C2v(39705)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.52717263; Eh
	31-May-2018	ScGdC2@C2v(9)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.55479204; Eh
	31-May-2018	ScGdC2@C3v(8)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.55508098; Eh
	31-May-2018	ScGdC2@Cs(6)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.55416604; Eh
	31-May-2018	ScGdO@C1(34647)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.27615121; Eh
	31-May-2018	ScGdO@C1(36652)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.26692325; Eh
	31-May-2018	ScGdO@C1(39631)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.28700673; Eh
	31-May-2018	ScGdO@C2v(39705)-C82_	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.30271180; Eh
	31-May-2018	ScGdO@C2v(9)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.33984590; Eh
	31-May-2018	ScGdO@C3v(8)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.34336247; Eh
	31-May-2018	ScGdO@Cs(6)-C82	Abella, Laura	ADF; 2013; 01	Geometry optimization	DFT	TZP; TZ2P	-27.34102115; Eh

Showing results 1 to 14 of 14