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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2016	b-B-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-880.734016176; Eh
	29-Jan-2016	b-M-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-880.737464017; Eh
	29-Jan-2016	b-P-4+_Optimisation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-880.739811516; Eh
	29-Jan-2016	f-M-4+_Optimisation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-880.739756237; Eh
	29-Jan-2016	f-P-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-880.737460414; Eh
	29-Jan-2016	f-B-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-880.734148140; Eh
	29-Jan-2016	f-M-4+_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-880.739756237; 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	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	Structure_of_the_molecular_triangle_2_(ONIOM)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; BP86; PM6	6-311G(d,p); LANL2DZ	-17.6018727927; Eh

Results 141-150 of 174 (Search time: 0.001 seconds).