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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/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-457.083650403; Eh
	8-May-2017	Ru-32310	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-372.85333811; eV
	11-May-2018	/metastable1h2o_with_cesium NB10_CS_C2_BCLOSE_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2874.33497294; Eh
	11-May-2018	/metastable1h2o_with_cesium NB10_Cs_C2_EH_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2874.34314768; Eh
	28-Nov-2017	ol-CdIr-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-151.80679172; eV
	28-Nov-2017	ol-CdPd-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-97.40327964; eV
	28-Nov-2017	ol-CdCo-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-101.62567014; eV
	28-Nov-2017	ol-CdRe-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-143.39095855; eV
	1-Dec-2017	/NMR_IR/IR/BP86/Linear_Carbonate_Water Linear_Carbonate_Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-2103.94059534; Eh
	1-Dec-2017	/NMR_IR/IR/wB97xD/HCarb_Water HCarb_Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2103.34214861; Eh

Results 4701-4710 of 104124 (Search time: 0.006 seconds).