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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_Me_I/RO/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-2979.49951005; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS2/FAIL FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-2696.42776711; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS3/FAIL FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-2696.42361005; Eh
	2-Dec-2016	/adsorption mannitol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-715.00835938; eV
	2-Dec-2016	/adsorption sorbitol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-714.99454769; eV
	8-May-2017	Ru-35202	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-376.78664804; eV
	2-Dec-2016	/adsorption alpha_mannose_intermediate	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-711.33399225; eV
	2-Dec-2016	/adsorption beta_glucose_intermediate	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-711.29834602; eV
	2-Dec-2016	/adsorption beta_glucose+h2o	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-721.63001563; eV
	2-Dec-2016	/adsorption alpha_mannose+h2o	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-721.73370720; eV

Results 8621-8630 of 103542 (Search time: 0.008 seconds).