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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 I0_HSiOCH33	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1441.09253693; Eh
	8-May-2017	Ru-1-03	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-370.81600930; eV
	8-May-2017	Ru-6-16	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-345.54369440; eV
	8-May-2017	Cu-2401	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-155.32741633; eV
	23-Jul-2018	/cis2butene/Pd/100/8H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-292.90931166; eV
	23-Jul-2018	/cis2butene/Pd/100/1H C4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-266.35936150; eV
	23-Jul-2018	/cis2butene/Pd/100/1H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-266.70643935; eV
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer4	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-635.610369957; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene I1_HSiOCH33	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1441.10838713; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HOSiOCH33	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-710.916140132; Eh

Results 10631-10640 of 104079 (Search time: 0.008 seconds).