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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T9a_HHO2SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1478.99841387; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T8a_HHO2SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1478.98458466; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I5_HHO2SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-
	19-May-2016	AgOx_Ag(111)-vac	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-179.56190866; eV
	19-May-2016	Ag2O-clean	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-340.74979932; eV
	19-May-2016	Ag-clean	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-163.43650831; eV
	1-Dec-2017	/Mechanisms/Side_Intermediates/Carb_HOep Carb_HOep	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.41183066; Eh
	4-Apr-2023	/CoFeIII LS_Co(III)-OOH	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.78889657; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T10a_HHO2SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1478.98102673; Eh
	8-Jun-2020	/PU1_formation TS_MC2-diss	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1335.82632750; eV

Results 10401-10410 of 104079 (Search time: 0.013 seconds).