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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2019	ts_a_cycl	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G(D,P)	-3226.43804356; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Reactants/Cat Cat	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1179.54434702; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Int_1 Int_1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1502.13538057; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Reactants/Epoxyhexane Epoxyhexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-310.948395996; Eh
	29-Oct-2019	a_alkoxide	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G(D,P)	-3037.88878912; Eh
	8-Oct-2019	/Racemization/TMA_Cat/B97_D3/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G(D,P)	-631.200246508; Eh
	8-Oct-2019	/Racemization/TMA_Cat/B97_D3/Ensemble_Oriented Ensemble_Oriented	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G(D,P)	-631.245888405; Eh
	8-Oct-2019	/Racemization/TMA_Cat/B97_D3/TS_From_HO_Frozen TS_From_HO_Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G(D,P)	-631.200246109; Eh
	8-Oct-2019	/Racemization/TMA_Cat/B97_D3/GC_R GC_R	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G(D,P)	-456.805765952; Eh
	8-Oct-2019	/Racemization/TMA_Cat/B97_D3/TS_2D TS_2D	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G(D,P)	-631.199657902; Eh

Results 711-720 of 721 (Search time: 0.002 seconds).