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Browsing by Author Moreno Vicente, Antonio

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
14-May-2019	/1-2 CF-U2-nonet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.88017463; Eh
14-May-2019	/1-2 CF-U2-quintet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.34268583; Eh
14-May-2019	/1-2 CF-U2-singlet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.88568947; Eh
14-May-2019	/1-2 CF-U2-triplet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.88471036; Eh
14-May-2019	/1-4 CF-U2-nonet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.78683556; Eh
14-May-2019	/1-4 CF-U2-quintet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.77048399; Eh
14-May-2019	/1-4 CF-U2-singlet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.77048399; Eh
14-May-2019	/1-4 CF-U2-triplet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.76318511; Eh
18-Jul-2021	Addend-2a_	Moreno Vicente, Antonio	ADF; 2018	Geometry optimization	PBE	TZP	-5.42179539; Eh
1-Feb-2017	/C2(7892)-C70 Sc2S@C2(7892)-C70Cl4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-23.38582430; Eh
1-Feb-2017	/C2v(11188)-C72 C2v(11188)-C72H4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-23.70263198; Eh
2-Feb-2017	/C2v(1809)-C60 C2v(1809)-C60Cl2_(1)	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.29262006; Eh
1-Feb-2017	/C2v(1809)-C60 C2v(1809)-C60Cl4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.45356598; Eh
1-Feb-2017	/C2v(1809)-C60 C2v(1809)-C60H	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.26650767; Eh
2-Feb-2017	/C2v(1809)-C60 C2v(1809)-C60H2_(2)	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.42653029; Eh
2-Feb-2017	/C2v(1809)-C60 Ca@C2v(1809)-C60F4_(2)	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.82795034; Eh
2-Feb-2017	/C2v(1809)-C60 Ca@C2v(1809)-C60H2	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.52493920; Eh
1-Feb-2017	/C2v(1809)-C60 Ca@C2v(1809)-C60H4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.82672167; Eh
2-Feb-2017	/C2v(1809)-C60 Sr@C2v(1809)-C60F2	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.54495439; Eh
1-Feb-2017	/C2v(1809)-C60 Sr@C2v(1809)-C60F4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.84305908; Eh

Showing results 1 to 20 of 58 next >