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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-May-2017	Ru-CS-H2COH_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-450.89320317; eV
	10-May-2017	Pd-CS-H3CO-tric_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-268.07476665; eV
	10-May-2017	Pt-S2W-H2CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-342.87238002; eV
	10-May-2017	Pd-CS-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex	Geometry optimization	-	-	-268.20084841; eV
	10-May-2017	Pt-S2W-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-343.21329807; eV
	10-May-2017	Pt-S5WR-TS-H3COH-H3CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-740.24150420; eV
	10-May-2017	Pt-S5WR-TS-H3COH-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-740.26955300; eV
	10-May-2017	Pt-S2W-TS-H3COH-H3CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-342.31747640; eV
	10-May-2017	Pd-CS-H_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-245.44566708; eV
	8-May-2017	Pt-9-16	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-307.61653020; eV

Results 17371-17380 of 104512 (Search time: 0.01 seconds).