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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Oct-2017	/Other_Phosphines NiPMe2Ph-2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1475.29545173; Eh
	26-Oct-2017	/Other_Phosphines PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-1036.54805321; Eh
	26-Oct-2017	/Other_Phosphines 1-I-PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-3522.20848963; Eh
	26-Oct-2017	/Other_Phosphines PMe2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-652.964031445; Eh
	26-Oct-2017	/Other_Phosphines 2-I-PMe2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2371.49605135; Eh
	26-Oct-2017	/THF TS-9-3-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1334.89533628; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-3-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1737.98290065; Eh
	13-Jul-2018	/B3LYPD3_calculations c6-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1851.00326084; Eh
	13-Jul-2018	/B3LYPD3_calculations c6-yne	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.78657929; Eh
	13-Jul-2018	/B3LYPD3_calculations c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1622.27265526; Eh

Results 21-30 of 176 (Search time: 0.002 seconds).