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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	10-May-2017	Pt-S2W-H2O_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-328.25057519; eV
	10-May-2017	Pt-S2W-H2O_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-327.00096514; eV
	10-May-2017	Pt-CS-H2O_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-298.21817567; eV
	10-May-2017	Ru-CS-H3COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-453.93667473; eV
	10-May-2017	H3COH_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	N/A	-	-	-30.45668531; eV
	10-May-2017	Pd-CS-TS-H3COH-H3CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-271.05861842; eV
	10-May-2017	Pt-S5WR-H2CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-740.76504943; eV
	10-May-2017	Pt-S5WR-H3CO_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-743.42275317; eV
	10-May-2017	Pt-S5WR-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-741.11760578; eV

Results 9591-9600 of 103542 (Search time: 0.008 seconds).