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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2016	/ts_frequency 13_13_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-666.51918367; eV
	1-Dec-2016	/ts_frequency 13_13_i	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-667.52550018; eV
	1-Dec-2016	/ts_frequency 12_23_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-670.72536941; eV
	2-Dec-2016	/TSs-ring_open alpha_mannose	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-720.37214113; eV
	2-Dec-2016	/TSs-ring_open beta_glucose	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-720.58411468; eV
	2-Dec-2016	/adsorption h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-567.99179902; eV
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS2/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	6-311G**	-2696.42954388; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2696.49492792; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3006.16732138; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-2696.42923723; Eh

Results 8611-8620 of 103542 (Search time: 0.008 seconds).