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

Search

previous
1
...
909
910
911
912
913
914
915
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS7-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91232711; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Poly/Dec_TS/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3182.34481400; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Insertion/Int3 Int3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3168.06913561; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Reactants/CHO/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-309.728908968; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-188.535124368; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP1-SP-H MECP1-s-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92135467; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP2-SP-H MECP2-s-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92389742; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP2-SP-H MECP2-t-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.93016188; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP1-SP-H MECP1-t-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92153720; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS9-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.95368926; Eh

Results 9111-9120 of 103542 (Search time: 0.008 seconds).