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

Search

previous
1
...
142
143
144
145
146
147
148
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I3-2-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.26320274; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I1-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.24800411; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I11-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.29684717; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I4-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25993101; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS9-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.84245870; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS7-2-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25613556; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS8-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.28445259; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS0-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.20685401; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS1-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.24857073; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS2-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25473462; Eh

Results 1441-1450 of 12842 (Search time: 0.004 seconds).