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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/NMR_IR/IR/BP86/TBD_CO2/Opt_Freq Opt_Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-627.624870027; Eh
	1-Dec-2017	/NMR_IR/IR/BP86/Carbonate Carbonate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-2027.46224980; Eh
	8-May-2017	Pt-1-07	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-329.51885106; eV
	28-Nov-2017	ol-CdPt-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-128.69764511; eV
	28-Nov-2017	ol-CdFe-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-120.24078750; eV
	28-Nov-2017	ol-CdAu-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-70.17948057; eV
	28-Nov-2017	ol-CdCu-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-69.90042325; eV
	28-Nov-2017	ol-CdOs-0000	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-141.62884473; eV
	1-Dec-2017	/NMR_IR/IR/BP86/Carbonate_Water/HCarb_Water HCarb_Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-2103.92129351; Eh
	1-Dec-2017	/NMR_IR/IR/BP86/Carbonate_Water_NoAl Carbonate_Water_NoAl	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-456.572117669; Eh

Results 4711-4720 of 104124 (Search time: 0.005 seconds).