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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Pt-5-29	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-313.18331729; eV
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE TS-I1-2	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.56542968; Eh
	10-May-2017	Pt-CS-TS-H2COH-H2CO_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-309.61523609; eV
	10-May-2017	Pt-CS-TS-H3COH-H3CO_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-313.21345805; eV
	10-May-2017	Pt-CS-TS-H3COH-H2COH_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-313.36027689; eV
	10-May-2017	Pt-CS-TS-H3CO-H2CO_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-309.36587618; eV
	10-May-2017	Pt-CS-H_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-286.96174984; eV
	10-May-2017	Pt-CS-H_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex	Geometry optimization	-	-	-286.67783460; eV
	10-May-2017	Pt-CS-bare_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-283.05072635; eV
	8-May-2017	Ru-4-43	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-353.40835157; eV

Results 9651-9660 of 103542 (Search time: 0.007 seconds).