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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer1	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-635.610547640; Eh
	23-Aug-2018	/ni4p3_ni5p4/ts_methyl_but_ol_P_Ni_site c2h4+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-940.87871253; eV
	8-May-2017	Ru-3-51	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-356.74746197; eV
	8-May-2017	Ru-4-41	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-352.59468002; eV
	8-May-2017	Pt-2611	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-330.29348392; eV
	8-May-2017	Cu-2112	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-160.19608875; eV
	8-May-2017	Pd-2001	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-257.83154611; eV
	23-Jul-2018	/cis2butene/Ni/111/9H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-333.91320961; eV
	23-Jul-2018	/cis2butene/Pd/100/1H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-265.95090895; eV
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-635.611987042; Eh

Results 10621-10630 of 104079 (Search time: 0.009 seconds).