ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Feb-2017	TS3-H2O_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-1968.82808174; Eh
3-Feb-2017	H_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-2045.29984337; Eh
3-Feb-2017	A_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-615.796231246; Eh
3-Feb-2017	TS1-H2O_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-2045.23493578; Eh
3-Feb-2017	E_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-2045.30787183; Eh
3-Feb-2017	C_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-1352.98288875; Eh
22-May-2018	Phenylphospholane_Toluene_373K	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-730.213305205; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T3a_H3SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-1328.37449846; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I5_HHO2SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-
22-May-2018	/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T7a_HHO2SiPh	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-1478.98566338; Eh

Results 31-40 of 94 (Search time: 0.001 seconds).