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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Gas_Opt/B3LYP/Int2_l/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1691.3791992; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-11.4721100599; Eh
	6-May-2019	CP-1Pd-i10	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1087.67766478; eV
	6-May-2019	CP-1Pd-i15	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1080.38933467; eV
	21-Jun-2019	/B2O4(C2H4)2 Int3_Ni_B_OCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1289.41307918; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS4CsC-B	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1289.40034268; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	6-311G**	-1502.67692450; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Reactants/Cat/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1179.984843; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1691.3688454; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/TS1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1502.7178725; Eh

Results 621-630 of 104079 (Search time: 0.004 seconds).