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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-May-2017	Pd-CS-TS-H3COH-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-271.38738309; eV
	10-May-2017	Pd-CS-TS-H3COH-H2COH_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-271.74765498; eV
	10-May-2017	Pd-CS-TS-H2COH-H2CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-267.46190569; eV
	10-May-2017	Pt-S5WR-H3COH_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-744.02749480; eV
	10-May-2017	Pt-S5WR-H3COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-741.16304393; eV
	10-May-2017	Pd-CS-H2O_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-256.48286163; eV
	10-May-2017	Ru-CS-H2O_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-438.63110476; eV
	10-May-2017	Pd-CS-TS-H3CO-H2CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-267.33728944; eV
	10-May-2017	Pt-S5WR-H2COH_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-744.13960587; eV
	10-May-2017	Pt-S5WR-H2O_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-727.94395543; eV

Results 9581-9590 of 103542 (Search time: 0.008 seconds).