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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-7-04	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-349.02756990; eV
	8-May-2017	Pt-1212	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex	Geometry optimization	-	-	-306.28871922; eV
	8-May-2017	Pt-2316	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-319.26356674; eV
	8-May-2017	Cu-2111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-159.85296511; eV
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K HO2SiPh2_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-904.556883341; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K Phenylphospholane_oxide	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-805.487963452; Eh
	8-Jun-2020	/PU1_formation PU1_ads	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2010.32232934; eV
	19-Mar-2026	/VW V00W01O04-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.80180008; Eh
	8-May-2017	Ru-2-29	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-360.27544661; eV
	8-May-2017	Ru-2-24	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-360.20774564; eV

Results 10751-10760 of 104079 (Search time: 0.009 seconds).