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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/M06_calculations bh_int4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1587.61719130; Eh
	13-Jul-2018	/M06_calculations bh_c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1588.07568608; Eh
	13-Jul-2018	/M06_calculations bh_H2O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-151.535492574; Eh
	13-Jul-2018	/B3LYPD3_calculations alkyne	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-308.494717503; Eh
	14-May-2026	/MXene_paper/Ti3C2O2_calculations/3_Ti_vac/Pd/NoH NoH	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-508.22521049; eV
	13-Jul-2018	/M06_calculations bh_TS_O2_S_H_c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1849.88095087; Eh
	13-Jul-2018	/M06_calculations bh_TS_c6_c8_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2007.04322247; Eh
	13-Jul-2018	/M06_calculations bh_c6_yne_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2007.06263261; Eh
	13-Jul-2018	/B3LYPD3_calculations c8-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2007.89457347; Eh
	13-Jul-2018	/B3LYPD3_calculations c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.78635869; Eh

Results 10421-10430 of 104592 (Search time: 0.009 seconds).