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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Feb-2016	RCb-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1998.54717943; Eh
	29-Feb-2016	FCb-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-669.425731179; Eh
	29-Feb-2016	FCb-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-669.351603710; Eh
	11-Feb-2019	Os-0000	García Muelas, Rodrigo	vasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complex	Geometry optimization	DFT	-	-518.61939974; eV
	1-Feb-2019	defect-T-2H-ethylene-TS_(T-TS5)	Ortuño, Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 06 2018 10:40:09) gamma-only	Frequencies	DFT	-	-4802.99501147; eV
	1-Feb-2019	defect-T-2H-ethylene_(T-5)	Ortuño, Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 06 2018 10:40:09) gamma-only	Frequencies	DFT	-	-4803.29053135; eV
	29-Feb-2016	TSb-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1998.52307805; Eh
	29-Feb-2016	RCb-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1998.54757751; Eh
	29-Feb-2016	FCb-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-669.425712212; Eh
	29-Feb-2016	TSb-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1998.45971162; Eh

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