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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2016	M4(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12293310; Eh
	29-Jan-2016	M5(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12189337; Eh
	29-Jan-2016	M4(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12293310; Eh
	10-May-2016	/optimised_half_capsules AA	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-29.61728887; Eh
	29-Jan-2016	P90-7+_in_P-6_(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12325600; Eh
	29-Jan-2016	P0-7+_in_P-6_(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12337337; Eh
	29-Jan-2016	P90-7+_in_P-6_(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12325600; Eh
	29-Jan-2016	P0-7+_in_P-6_(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12337337; Eh
	10-May-2016	/optimised_half_capsules AB	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-29.62752773; Eh
	10-May-2016	/optimised_half_capsules SA	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-29.62636625; Eh

Results 33761-33770 of 104079 (Search time: 0.023 seconds).