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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-ZnCd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-60.40140901; eV
	13-Jul-2018	/M06_calculations bh_c6_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1849.89455481; Eh
	13-Jul-2018	/M06_calculations bh_c8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1777.98815319; Eh
	13-Jul-2018	/M06_calculations bh_alk	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-308.232675974; Eh
	9-Nov-2018	/vacuum/complexes nme3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-666.161267806; Eh
	8-May-2019	/MnN4-O MnN4-O-CO2H	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-684.08914280; eV
	22-Dec-2017	vac-O3c_2xMo(V)_2x2	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-472.10047402; eV
	22-Dec-2017	vac-Ot_2xMo(V)_2x2	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-473.99689699; eV
	22-Dec-2017	vac-Ot_Mo(IV)_2x2	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-473.86434179; eV
	13-Jul-2018	/M06_calculations bh_c9_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2006.62463045; Eh

Results 10381-10390 of 104592 (Search time: 0.01 seconds).