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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Pd-2-29	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-283.48194337; eV
	30-Jan-2019	/Solv_Opt/M06_2x/Int2_l Int2_l	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1690.52122713; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1690.51939468; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-1490.80703657; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/FC FC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-1679.41560825; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.50361890; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/CC CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-499.656947261; Eh
	28-Jan-2019	Sys1_T3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1658.78579950; Eh
	28-Jan-2019	Sys1_T2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RM062X	-	-1658.78156460; Eh
	21-Jun-2017	Ag-0101	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-128.61518009; eV

Results 1101-1110 of 104079 (Search time: 0.004 seconds).