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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2018	/cis2butene/Pd/111/1H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-294.10899787; eV
	23-Jul-2018	/cis2butene/Pd/111/1H C4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-294.60397388; eV
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_FC_Ep Scan_FC_Ep	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-724.955436526; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I4a_H2HOSiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1403.70547947; Eh
	8-May-2017	Ru-2-21	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-353.07221954; eV
	8-May-2017	Cu-2202	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-148.70868951; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_methyl_but_ol_P_Ni_site c2h5+h_2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-941.47812640; eV
	8-May-2017	Cu-2621	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-169.21660288; eV
	8-May-2017	Ru-8-02	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-328.93456289; eV
	23-Jul-2018	/cis2butene/Pd/111/1H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-294.92543375; eV

Results 22731-22740 of 104508 (Search time: 0.016 seconds).