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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/M06_calculations bh_TS_3re	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1508.38296761; Eh
	9-Nov-2018	/vacuum/complexes nme3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1864.69487141; Eh
	13-Jul-2018	/M06_calculations bh_TS_c4_OAc_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1699.53255880; Eh
	13-Jul-2018	/M06_calculations bh_TS_c6_c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1929.52138393; Eh
	13-Jul-2018	/M06_calculations bh_TS_c7_c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1929.52685067; Eh
	13-Jul-2018	/M06_calculations bh_TS_c3_c4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1816.63902692; Eh
	13-Jul-2018	/M06_calculations bh_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1470.49672779; Eh
	13-Jul-2018	/M06_calculations bh_int2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-615.295723485; Eh
	13-Jul-2018	/M06_calculations bh_HOAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-229.041449914; Eh
	11-Apr-2021	/Diels_Alder ts-ma9-bq-mixb	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-960.567286055; Eh

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