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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Ru-2-09	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-367.14590841; eV
	8-May-2017	Ru-4-39	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-359.29522755; eV
	8-May-2017	Ru-4-30	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-359.59105949; eV
	22-May-2018	/1-phenylphospholane_oxide_+_HSiPh3_in_toluene T2_HSiPh3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1790.51389576; Eh
	23-Aug-2018	/ni4p3_ni5p4/ts_methyl_but_ol_P_Ni_site c2h2+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-932.81100905; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_P_Ni_site ts_5_6_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-882.10799951; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h6	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-444.37906110; eV
	30-Jan-2018	PHI_Cl2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-3148.11955301; eV
	14-Jul-2015	radicalP7_6	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.226980960; Eh
	8-May-2017	Pt-2-18	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-325.19173534; eV

Results 11101-11110 of 104079 (Search time: 0.008 seconds).