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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_H_I/Insertion/TS2/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2695.71124437; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/Int_p Int_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3006.19209497; Eh
	17-Oct-2016	/Dimer/Al_Me_I/RO/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2979.57991846; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS2/FAIL/Frozen Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-2696.43078868; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Reactants/CHO/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-309.728908968; Eh
	19-Sep-2016	/Cs8_Ta6 Optimization_and_Frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1933.68759278; Eh
	11-Apr-2017	/NiCo2P2/opt h2o_2_is	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-609.40482803; eV
	11-Apr-2017	/NiCo2P2/opt H_top	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-590.02473509; eV
	13-Dec-2016	fullcapsule_SO4	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	-	-
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/TS_p_/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.77339186; Eh

Results 8671-8680 of 103542 (Search time: 0.007 seconds).