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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3178.70340236; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/RO/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2680.42491034; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/RO/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2983.09480520; Eh
	17-Oct-2016	/Dimer/Al_Me_I/RO/TS/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2979.56532895; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-31G*	-3177.95239751; Eh
	11-Apr-2017	/NiCo2P2/opt H_hollow	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-591.34370953; eV
	22-Feb-2020	A_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3721.0549499; Eh
	11-Apr-2017	/Ni3P2/opt ts_h2o_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-540.37029533; eV
	11-Apr-2017	/NiCo2P2/opt 3B4	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-639.95841033; eV
	11-Apr-2017	/NiCo2P2/opt 4B4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-640.47550533; eV

Results 8691-8700 of 103542 (Search time: 0.008 seconds).