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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Extra_Calculations/CCSD/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-1828.29113506; Eh
	1-Dec-2017	/Extra_Calculations/CyclohexeneOx_Tests/From_Back/Scan/Zoom3 Zoom3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2143.55355475; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Scan_RO Scan_RO	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1953.13197449; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Methanol Methanol	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-115.722441736; Eh
	1-Dec-2017	/Extra_Calculations/IC_Isomerization IC_Isomerization	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1838.32770800; Eh
	8-May-2017	Ru-2-18	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-360.02236511; eV
	8-May-2017	Pd-6-10	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-274.52329576; eV
	8-May-2017	Pd-1301	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex	Geometry optimization	-	-	-261.43542825; eV
	8-May-2017	Pt-1121	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-309.39188698; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_methyl_but_ol_P_Ni_site c2h4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-932.99276396; eV

Results 10731-10740 of 104079 (Search time: 0.009 seconds).